USER MOD reduce.3.24.130724 H: found=0, std=0, add=948, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 949 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 117 ASN :FLIP amide:sc= -1.37 F(o=-4.9,f=-3.8) USER MOD Set 1.2: A 134 GLN : amide:sc= -2.47 K(o=-3.8,f=-11!) USER MOD Set 2.1: A 115 ASN : amide:sc= -5.41! C(o=-13!,f=-18!) USER MOD Set 2.2: A 131 GLN : amide:sc= -7.17! C(o=-13!,f=-23!) USER MOD Set 3.1: A 47 HIS : no HE2:sc= -10.5! C(o=-13!,f=-13!) USER MOD Set 3.2: A 78 ASN : amide:sc= -2.66 K(o=-13,f=-14!) USER MOD Set 4.1: A 73 ASN : amide:sc= -1.01! C(o=-4.7!,f=-14!) USER MOD Set 4.2: A 140 GLN : amide:sc= -3.71! C(o=-4.7!,f=-10!) USER MOD Single : A 22 HIS : no HD1:sc= -0.853 X(o=-0.85,f=-1) USER MOD Single : A 24 HIS : no HE2:sc= -10.9! C(o=-11!,f=-12!) USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -116:sc= -3.2 (180deg=-6.41!) USER MOD Single : A 48 LYS NZ :NH3+ 147:sc= -0.0889 (180deg=-1.19) USER MOD Single : A 49 SER OG : rot -49:sc= -0.164 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot -176:sc= 0.772! USER MOD Single : A 65 THR OG1 : rot 180:sc= 0.104 USER MOD Single : A 68 SER OG : rot -61:sc= 0.284 USER MOD Single : A 71 SER OG : rot -140:sc= -1.37 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 MET CE :methyl -116:sc= -4.71! (180deg=-8.14!) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 SER OG : rot -26:sc= -0.317 USER MOD Single : A 96 TYR OH : rot -38:sc= -0.947! USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.00779) USER MOD Single : A 110 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 119 ASN : amide:sc= -3.33! C(o=-3.3!,f=-6.6!) USER MOD Single : A 121 SER OG : rot 20:sc= 1.25 USER MOD Single : A 122 TYR OH : rot 180:sc= 0 USER MOD Single : A 123 LYS NZ :NH3+ -116:sc= -0.87 (180deg=-4.49!) USER MOD Single : A 124 TYR OH : rot 20:sc= -3.18! USER MOD Single : A 126 TYR OH : rot 180:sc= -0.759 USER MOD Single : A 128 SER OG : rot -96:sc= -0.122 USER MOD Single : A 136 MET CE :methyl 166:sc= -8.69! (180deg=-10.6!) USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 144 THR OG1 : rot -138:sc= 1.14 USER MOD ----------------------------------------------------------------- ATOM 308 N HIS A 22 -8.917 -0.098 -10.263 1.00 0.00 N ATOM 309 CA HIS A 22 -9.279 -0.575 -8.928 1.00 0.00 C ATOM 310 C HIS A 22 -8.025 -1.020 -8.178 1.00 0.00 C ATOM 311 O HIS A 22 -7.802 -0.641 -7.033 1.00 0.00 O ATOM 312 CB HIS A 22 -10.279 -1.729 -9.029 1.00 0.00 C ATOM 313 CG HIS A 22 -9.752 -2.919 -9.768 1.00 0.00 C ATOM 314 ND1 HIS A 22 -9.349 -4.079 -9.140 1.00 0.00 N ATOM 315 CD2 HIS A 22 -9.565 -3.127 -11.094 1.00 0.00 C ATOM 316 CE1 HIS A 22 -8.936 -4.947 -10.045 1.00 0.00 C ATOM 317 NE2 HIS A 22 -9.058 -4.395 -11.238 1.00 0.00 N ATOM 0 HA HIS A 22 -9.749 0.239 -8.376 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -10.569 -2.036 -8.024 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -11.181 -1.374 -9.527 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -9.775 -2.427 -11.889 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -8.562 -5.940 -9.844 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -8.815 -4.839 -12.124 1.00 0.00 H new ATOM 326 N ILE A 23 -7.204 -1.800 -8.867 1.00 0.00 N ATOM 327 CA ILE A 23 -5.928 -2.308 -8.355 1.00 0.00 C ATOM 328 C ILE A 23 -5.729 -2.135 -6.821 1.00 0.00 C ATOM 329 O ILE A 23 -6.365 -2.839 -6.011 1.00 0.00 O ATOM 330 CB ILE A 23 -4.781 -1.628 -9.135 1.00 0.00 C ATOM 331 CG1 ILE A 23 -4.967 -1.844 -10.638 1.00 0.00 C ATOM 332 CG2 ILE A 23 -3.429 -2.145 -8.690 1.00 0.00 C ATOM 333 CD1 ILE A 23 -5.831 -0.793 -11.298 1.00 0.00 C ATOM 0 H ILE A 23 -7.406 -2.107 -9.819 1.00 0.00 H new ATOM 0 HA ILE A 23 -5.928 -3.387 -8.513 1.00 0.00 H new ATOM 0 HB ILE A 23 -4.814 -0.559 -8.922 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -3.989 -1.853 -11.119 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -5.413 -2.825 -10.803 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.644 -1.646 -9.258 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -3.293 -1.941 -7.628 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -3.375 -3.220 -8.863 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -5.919 -1.010 -12.363 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -6.822 -0.799 -10.844 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -5.376 0.188 -11.164 1.00 0.00 H new ATOM 345 N HIS A 24 -4.825 -1.221 -6.421 1.00 0.00 N ATOM 346 CA HIS A 24 -4.531 -0.996 -5.003 1.00 0.00 C ATOM 347 C HIS A 24 -5.507 -0.008 -4.364 1.00 0.00 C ATOM 348 O HIS A 24 -5.139 0.731 -3.452 1.00 0.00 O ATOM 349 CB HIS A 24 -3.095 -0.489 -4.813 1.00 0.00 C ATOM 350 CG HIS A 24 -2.130 -0.972 -5.850 1.00 0.00 C ATOM 351 ND1 HIS A 24 -1.332 -0.125 -6.592 1.00 0.00 N ATOM 352 CD2 HIS A 24 -1.825 -2.225 -6.261 1.00 0.00 C ATOM 353 CE1 HIS A 24 -0.582 -0.837 -7.414 1.00 0.00 C ATOM 354 NE2 HIS A 24 -0.859 -2.113 -7.232 1.00 0.00 N ATOM 0 H HIS A 24 -4.291 -0.632 -7.060 1.00 0.00 H new ATOM 0 HA HIS A 24 -4.644 -1.959 -4.505 1.00 0.00 H new ATOM 0 HB2 HIS A 24 -3.103 0.601 -4.820 1.00 0.00 H new ATOM 0 HB3 HIS A 24 -2.740 -0.799 -3.830 1.00 0.00 H new ATOM 0 HD1 HIS A 24 -1.323 0.892 -6.517 1.00 0.00 H new ATOM 0 HD2 HIS A 24 -2.260 -3.143 -5.894 1.00 0.00 H new ATOM 0 HE1 HIS A 24 0.136 -0.441 -8.116 1.00 0.00 H new ATOM 363 N TRP A 25 -6.746 0.002 -4.843 1.00 0.00 N ATOM 364 CA TRP A 25 -7.766 0.907 -4.315 1.00 0.00 C ATOM 365 C TRP A 25 -9.156 0.288 -4.367 1.00 0.00 C ATOM 366 O TRP A 25 -10.091 0.827 -3.775 1.00 0.00 O ATOM 367 CB TRP A 25 -7.781 2.211 -5.105 1.00 0.00 C ATOM 368 CG TRP A 25 -7.100 2.091 -6.424 1.00 0.00 C ATOM 369 CD1 TRP A 25 -7.695 1.901 -7.627 1.00 0.00 C ATOM 370 CD2 TRP A 25 -5.695 2.135 -6.668 1.00 0.00 C ATOM 371 NE1 TRP A 25 -6.747 1.809 -8.607 1.00 0.00 N ATOM 372 CE2 TRP A 25 -5.509 1.962 -8.047 1.00 0.00 C ATOM 373 CE3 TRP A 25 -4.576 2.305 -5.856 1.00 0.00 C ATOM 374 CZ2 TRP A 25 -4.248 1.953 -8.633 1.00 0.00 C ATOM 375 CZ3 TRP A 25 -3.326 2.299 -6.431 1.00 0.00 C ATOM 376 CH2 TRP A 25 -3.167 2.125 -7.812 1.00 0.00 C ATOM 0 H TRP A 25 -7.070 -0.605 -5.596 1.00 0.00 H new ATOM 0 HA TRP A 25 -7.509 1.101 -3.274 1.00 0.00 H new ATOM 0 HB2 TRP A 25 -8.813 2.525 -5.261 1.00 0.00 H new ATOM 0 HB3 TRP A 25 -7.295 2.992 -4.519 1.00 0.00 H new ATOM 0 HD1 TRP A 25 -8.761 1.832 -7.787 1.00 0.00 H new ATOM 0 HE1 TRP A 25 -6.933 1.651 -9.597 1.00 0.00 H new ATOM 0 HE3 TRP A 25 -4.688 2.440 -4.790 1.00 0.00 H new ATOM 0 HZ2 TRP A 25 -4.126 1.815 -9.697 1.00 0.00 H new ATOM 0 HZ3 TRP A 25 -2.454 2.430 -5.808 1.00 0.00 H new ATOM 0 HH2 TRP A 25 -2.174 2.127 -8.236 1.00 0.00 H new ATOM 387 N ARG A 26 -9.298 -0.836 -5.077 1.00 0.00 N ATOM 388 CA ARG A 26 -10.592 -1.507 -5.191 1.00 0.00 C ATOM 389 C ARG A 26 -11.425 -1.324 -3.914 1.00 0.00 C ATOM 390 O ARG A 26 -12.603 -0.979 -3.981 1.00 0.00 O ATOM 391 CB ARG A 26 -10.378 -2.995 -5.482 1.00 0.00 C ATOM 392 CG ARG A 26 -11.563 -3.896 -5.168 1.00 0.00 C ATOM 393 CD ARG A 26 -12.710 -3.648 -6.109 1.00 0.00 C ATOM 394 NE ARG A 26 -12.827 -4.696 -7.120 1.00 0.00 N ATOM 395 CZ ARG A 26 -13.279 -5.923 -6.867 1.00 0.00 C ATOM 396 NH1 ARG A 26 -13.658 -6.259 -5.640 1.00 0.00 N ATOM 397 NH2 ARG A 26 -13.351 -6.816 -7.845 1.00 0.00 N ATOM 0 H ARG A 26 -8.537 -1.296 -5.577 1.00 0.00 H new ATOM 0 HA ARG A 26 -11.145 -1.056 -6.015 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -10.125 -3.109 -6.536 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -9.518 -3.340 -4.908 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -11.255 -4.940 -5.235 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -11.889 -3.725 -4.142 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -13.638 -3.588 -5.541 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -12.574 -2.684 -6.600 1.00 0.00 H new ATOM 0 HE ARG A 26 -12.546 -4.475 -8.075 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -13.604 -5.576 -4.885 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -14.003 -7.200 -5.453 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -13.060 -6.563 -8.789 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -13.697 -7.756 -7.653 1.00 0.00 H new ATOM 411 N THR A 27 -10.791 -1.543 -2.750 1.00 0.00 N ATOM 412 CA THR A 27 -11.459 -1.390 -1.454 1.00 0.00 C ATOM 413 C THR A 27 -10.650 -2.062 -0.349 1.00 0.00 C ATOM 414 O THR A 27 -10.177 -3.186 -0.510 1.00 0.00 O ATOM 415 CB THR A 27 -12.877 -1.973 -1.475 1.00 0.00 C ATOM 416 OG1 THR A 27 -13.427 -1.993 -0.170 1.00 0.00 O ATOM 417 CG2 THR A 27 -12.941 -3.383 -2.018 1.00 0.00 C ATOM 0 H THR A 27 -9.814 -1.827 -2.684 1.00 0.00 H new ATOM 0 HA THR A 27 -11.530 -0.321 -1.254 1.00 0.00 H new ATOM 0 HB THR A 27 -13.446 -1.321 -2.138 1.00 0.00 H new ATOM 0 HG1 THR A 27 -14.333 -2.366 -0.202 1.00 0.00 H new ATOM 0 HG21 THR A 27 -13.974 -3.732 -2.004 1.00 0.00 H new ATOM 0 HG22 THR A 27 -12.568 -3.396 -3.042 1.00 0.00 H new ATOM 0 HG23 THR A 27 -12.328 -4.039 -1.400 1.00 0.00 H new ATOM 425 N LEU A 28 -10.495 -1.366 0.772 1.00 0.00 N ATOM 426 CA LEU A 28 -9.743 -1.898 1.903 1.00 0.00 C ATOM 427 C LEU A 28 -10.501 -3.038 2.574 1.00 0.00 C ATOM 428 O LEU A 28 -9.897 -3.965 3.115 1.00 0.00 O ATOM 429 CB LEU A 28 -9.462 -0.790 2.920 1.00 0.00 C ATOM 430 CG LEU A 28 -8.479 -1.168 4.030 1.00 0.00 C ATOM 431 CD1 LEU A 28 -7.665 0.043 4.458 1.00 0.00 C ATOM 432 CD2 LEU A 28 -9.222 -1.761 5.217 1.00 0.00 C ATOM 0 H LEU A 28 -10.880 -0.433 0.922 1.00 0.00 H new ATOM 0 HA LEU A 28 -8.797 -2.287 1.527 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -9.072 0.079 2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -10.405 -0.489 3.377 1.00 0.00 H new ATOM 0 HG LEU A 28 -7.793 -1.921 3.642 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -6.972 -0.245 5.248 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -7.104 0.425 3.605 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -8.335 0.819 4.829 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -8.509 -2.025 5.998 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.931 -1.029 5.605 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.760 -2.655 4.900 1.00 0.00 H new ATOM 444 N GLU A 29 -11.828 -2.961 2.537 1.00 0.00 N ATOM 445 CA GLU A 29 -12.672 -3.984 3.144 1.00 0.00 C ATOM 446 C GLU A 29 -12.356 -5.366 2.580 1.00 0.00 C ATOM 447 O GLU A 29 -11.900 -6.252 3.302 1.00 0.00 O ATOM 448 CB GLU A 29 -14.149 -3.653 2.918 1.00 0.00 C ATOM 449 CG GLU A 29 -15.035 -3.991 4.104 1.00 0.00 C ATOM 450 CD GLU A 29 -16.433 -3.421 3.967 1.00 0.00 C ATOM 451 OE1 GLU A 29 -16.638 -2.251 4.353 1.00 0.00 O ATOM 452 OE2 GLU A 29 -17.323 -4.145 3.474 1.00 0.00 O ATOM 0 H GLU A 29 -12.342 -2.200 2.093 1.00 0.00 H new ATOM 0 HA GLU A 29 -12.466 -3.998 4.214 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -14.245 -2.590 2.695 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -14.505 -4.196 2.043 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -15.097 -5.074 4.210 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -14.578 -3.607 5.016 1.00 0.00 H new ATOM 459 N ASP A 30 -12.604 -5.546 1.285 1.00 0.00 N ATOM 460 CA ASP A 30 -12.348 -6.824 0.629 1.00 0.00 C ATOM 461 C ASP A 30 -10.874 -7.206 0.725 1.00 0.00 C ATOM 462 O ASP A 30 -10.527 -8.387 0.693 1.00 0.00 O ATOM 463 CB ASP A 30 -12.774 -6.764 -0.840 1.00 0.00 C ATOM 464 CG ASP A 30 -13.595 -7.969 -1.253 1.00 0.00 C ATOM 465 OD1 ASP A 30 -14.809 -7.988 -0.963 1.00 0.00 O ATOM 466 OD2 ASP A 30 -13.022 -8.895 -1.865 1.00 0.00 O ATOM 0 H ASP A 30 -12.981 -4.824 0.671 1.00 0.00 H new ATOM 0 HA ASP A 30 -12.935 -7.586 1.142 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -13.354 -5.857 -1.011 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -11.887 -6.699 -1.470 1.00 0.00 H new ATOM 471 N GLY A 31 -10.010 -6.202 0.837 1.00 0.00 N ATOM 472 CA GLY A 31 -8.585 -6.460 0.927 1.00 0.00 C ATOM 473 C GLY A 31 -8.220 -7.322 2.119 1.00 0.00 C ATOM 474 O GLY A 31 -7.466 -8.286 1.986 1.00 0.00 O ATOM 0 H GLY A 31 -10.271 -5.216 0.867 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -8.251 -6.951 0.013 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -8.052 -5.512 0.993 1.00 0.00 H new ATOM 478 N LYS A 32 -8.750 -6.975 3.286 1.00 0.00 N ATOM 479 CA LYS A 32 -8.467 -7.726 4.505 1.00 0.00 C ATOM 480 C LYS A 32 -9.196 -9.067 4.501 1.00 0.00 C ATOM 481 O LYS A 32 -8.623 -10.097 4.853 1.00 0.00 O ATOM 482 CB LYS A 32 -8.875 -6.914 5.736 1.00 0.00 C ATOM 483 CG LYS A 32 -8.274 -7.433 7.031 1.00 0.00 C ATOM 484 CD LYS A 32 -9.169 -8.475 7.682 1.00 0.00 C ATOM 485 CE LYS A 32 -10.021 -7.866 8.784 1.00 0.00 C ATOM 486 NZ LYS A 32 -10.787 -8.903 9.530 1.00 0.00 N ATOM 0 H LYS A 32 -9.377 -6.181 3.415 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.394 -7.917 4.543 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -8.572 -5.877 5.594 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.962 -6.919 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -7.295 -7.867 6.830 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.120 -6.603 7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.815 -8.924 6.927 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -8.556 -9.276 8.095 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -9.382 -7.318 9.477 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -10.714 -7.144 8.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -11.355 -8.448 10.273 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -11.416 -9.409 8.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -10.125 -9.577 9.965 1.00 0.00 H new ATOM 500 N LYS A 33 -10.463 -9.042 4.102 1.00 0.00 N ATOM 501 CA LYS A 33 -11.272 -10.255 4.055 1.00 0.00 C ATOM 502 C LYS A 33 -10.744 -11.229 3.006 1.00 0.00 C ATOM 503 O LYS A 33 -10.923 -12.442 3.127 1.00 0.00 O ATOM 504 CB LYS A 33 -12.731 -9.904 3.751 1.00 0.00 C ATOM 505 CG LYS A 33 -13.660 -11.108 3.756 1.00 0.00 C ATOM 506 CD LYS A 33 -14.759 -10.968 2.711 1.00 0.00 C ATOM 507 CE LYS A 33 -14.726 -12.111 1.709 1.00 0.00 C ATOM 508 NZ LYS A 33 -15.081 -11.657 0.335 1.00 0.00 N ATOM 0 H LYS A 33 -10.952 -8.197 3.807 1.00 0.00 H new ATOM 0 HA LYS A 33 -11.212 -10.738 5.031 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -13.083 -9.181 4.487 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -12.784 -9.419 2.776 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -13.085 -12.014 3.562 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -14.107 -11.220 4.744 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -15.731 -10.944 3.205 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -14.644 -10.020 2.186 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -13.731 -12.556 1.698 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -15.420 -12.890 2.024 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -15.047 -12.466 -0.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -16.040 -11.256 0.339 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -14.404 -10.932 0.023 1.00 0.00 H new ATOM 522 N GLU A 34 -10.099 -10.695 1.973 1.00 0.00 N ATOM 523 CA GLU A 34 -9.552 -11.523 0.904 1.00 0.00 C ATOM 524 C GLU A 34 -8.111 -11.925 1.199 1.00 0.00 C ATOM 525 O GLU A 34 -7.685 -13.030 0.862 1.00 0.00 O ATOM 526 CB GLU A 34 -9.624 -10.782 -0.432 1.00 0.00 C ATOM 527 CG GLU A 34 -9.463 -11.692 -1.638 1.00 0.00 C ATOM 528 CD GLU A 34 -10.562 -11.499 -2.665 1.00 0.00 C ATOM 529 OE1 GLU A 34 -10.406 -10.623 -3.541 1.00 0.00 O ATOM 530 OE2 GLU A 34 -11.576 -12.224 -2.592 1.00 0.00 O ATOM 0 H GLU A 34 -9.943 -9.694 1.854 1.00 0.00 H new ATOM 0 HA GLU A 34 -10.153 -12.430 0.843 1.00 0.00 H new ATOM 0 HB2 GLU A 34 -10.582 -10.266 -0.501 1.00 0.00 H new ATOM 0 HB3 GLU A 34 -8.847 -10.018 -0.457 1.00 0.00 H new ATOM 0 HG2 GLU A 34 -8.497 -11.502 -2.105 1.00 0.00 H new ATOM 0 HG3 GLU A 34 -9.458 -12.730 -1.307 1.00 0.00 H new ATOM 537 N ALA A 35 -7.361 -11.023 1.826 1.00 0.00 N ATOM 538 CA ALA A 35 -5.967 -11.291 2.161 1.00 0.00 C ATOM 539 C ALA A 35 -5.836 -12.556 3.000 1.00 0.00 C ATOM 540 O ALA A 35 -4.862 -13.298 2.877 1.00 0.00 O ATOM 541 CB ALA A 35 -5.357 -10.107 2.896 1.00 0.00 C ATOM 0 H ALA A 35 -7.695 -10.102 2.112 1.00 0.00 H new ATOM 0 HA ALA A 35 -5.423 -11.444 1.229 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -4.317 -10.325 3.138 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.404 -9.222 2.262 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -5.913 -9.924 3.816 1.00 0.00 H new ATOM 547 N ALA A 36 -6.826 -12.795 3.854 1.00 0.00 N ATOM 548 CA ALA A 36 -6.827 -13.968 4.719 1.00 0.00 C ATOM 549 C ALA A 36 -6.864 -15.255 3.901 1.00 0.00 C ATOM 550 O ALA A 36 -5.992 -16.113 4.038 1.00 0.00 O ATOM 551 CB ALA A 36 -8.008 -13.916 5.674 1.00 0.00 C ATOM 0 H ALA A 36 -7.640 -12.190 3.965 1.00 0.00 H new ATOM 0 HA ALA A 36 -5.903 -13.963 5.297 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -7.997 -14.798 6.314 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -7.939 -13.019 6.290 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -8.937 -13.893 5.104 1.00 0.00 H new ATOM 557 N ALA A 37 -7.880 -15.385 3.054 1.00 0.00 N ATOM 558 CA ALA A 37 -8.030 -16.569 2.217 1.00 0.00 C ATOM 559 C ALA A 37 -6.901 -16.671 1.197 1.00 0.00 C ATOM 560 O ALA A 37 -6.123 -17.624 1.211 1.00 0.00 O ATOM 561 CB ALA A 37 -9.378 -16.549 1.513 1.00 0.00 C ATOM 0 H ALA A 37 -8.611 -14.685 2.929 1.00 0.00 H new ATOM 0 HA ALA A 37 -7.980 -17.446 2.862 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -9.477 -17.439 0.891 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -10.176 -16.534 2.255 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -9.448 -15.659 0.887 1.00 0.00 H new ATOM 567 N SER A 38 -6.818 -15.682 0.313 1.00 0.00 N ATOM 568 CA SER A 38 -5.784 -15.660 -0.715 1.00 0.00 C ATOM 569 C SER A 38 -4.391 -15.672 -0.091 1.00 0.00 C ATOM 570 O SER A 38 -3.443 -16.195 -0.677 1.00 0.00 O ATOM 571 CB SER A 38 -5.946 -14.425 -1.603 1.00 0.00 C ATOM 572 OG SER A 38 -6.713 -14.724 -2.755 1.00 0.00 O ATOM 0 H SER A 38 -7.454 -14.885 0.288 1.00 0.00 H new ATOM 0 HA SER A 38 -5.896 -16.557 -1.325 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.428 -13.627 -1.038 1.00 0.00 H new ATOM 0 HB3 SER A 38 -4.965 -14.056 -1.901 1.00 0.00 H new ATOM 0 HG SER A 38 -6.804 -13.918 -3.306 1.00 0.00 H new ATOM 578 N GLY A 39 -4.275 -15.094 1.101 1.00 0.00 N ATOM 579 CA GLY A 39 -2.994 -15.050 1.780 1.00 0.00 C ATOM 580 C GLY A 39 -2.004 -14.134 1.087 1.00 0.00 C ATOM 581 O GLY A 39 -0.848 -14.502 0.880 1.00 0.00 O ATOM 0 H GLY A 39 -5.045 -14.656 1.607 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -3.141 -14.712 2.806 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -2.579 -16.056 1.832 1.00 0.00 H new ATOM 585 N LEU A 40 -2.459 -12.937 0.729 1.00 0.00 N ATOM 586 CA LEU A 40 -1.604 -11.965 0.055 1.00 0.00 C ATOM 587 C LEU A 40 -1.522 -10.667 0.852 1.00 0.00 C ATOM 588 O LEU A 40 -2.462 -10.301 1.558 1.00 0.00 O ATOM 589 CB LEU A 40 -2.126 -11.681 -1.355 1.00 0.00 C ATOM 590 CG LEU A 40 -3.620 -11.378 -1.451 1.00 0.00 C ATOM 591 CD1 LEU A 40 -3.933 -10.043 -0.794 1.00 0.00 C ATOM 592 CD2 LEU A 40 -4.073 -11.381 -2.903 1.00 0.00 C ATOM 0 H LEU A 40 -3.413 -12.617 0.894 1.00 0.00 H new ATOM 0 HA LEU A 40 -0.603 -12.390 -0.017 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.574 -10.835 -1.765 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.906 -12.542 -1.986 1.00 0.00 H new ATOM 0 HG LEU A 40 -4.166 -12.159 -0.922 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.001 -9.841 -0.871 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.645 -10.078 0.257 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.377 -9.251 -1.296 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -5.140 -11.163 -2.952 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.522 -10.621 -3.458 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.882 -12.360 -3.342 1.00 0.00 H new ATOM 604 N PRO A 41 -0.387 -9.950 0.754 1.00 0.00 N ATOM 605 CA PRO A 41 -0.184 -8.689 1.474 1.00 0.00 C ATOM 606 C PRO A 41 -1.191 -7.615 1.072 1.00 0.00 C ATOM 607 O PRO A 41 -1.916 -7.752 0.083 1.00 0.00 O ATOM 608 CB PRO A 41 1.239 -8.267 1.089 1.00 0.00 C ATOM 609 CG PRO A 41 1.547 -9.022 -0.156 1.00 0.00 C ATOM 610 CD PRO A 41 0.784 -10.313 -0.059 1.00 0.00 C ATOM 0 HA PRO A 41 -0.323 -8.816 2.548 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.299 -7.192 0.922 1.00 0.00 H new ATOM 0 HB3 PRO A 41 1.949 -8.507 1.881 1.00 0.00 H new ATOM 0 HG2 PRO A 41 1.247 -8.457 -1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 41 2.617 -9.207 -0.245 1.00 0.00 H new ATOM 0 HD2 PRO A 41 0.493 -10.684 -1.042 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.376 -11.096 0.414 1.00 0.00 H new ATOM 618 N LEU A 42 -1.228 -6.542 1.853 1.00 0.00 N ATOM 619 CA LEU A 42 -2.144 -5.441 1.596 1.00 0.00 C ATOM 620 C LEU A 42 -1.437 -4.295 0.888 1.00 0.00 C ATOM 621 O LEU A 42 -0.663 -3.554 1.494 1.00 0.00 O ATOM 622 CB LEU A 42 -2.759 -4.944 2.904 1.00 0.00 C ATOM 623 CG LEU A 42 -4.047 -5.653 3.325 1.00 0.00 C ATOM 624 CD1 LEU A 42 -3.811 -7.149 3.470 1.00 0.00 C ATOM 625 CD2 LEU A 42 -4.577 -5.067 4.625 1.00 0.00 C ATOM 0 H LEU A 42 -0.632 -6.412 2.671 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.937 -5.810 0.946 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -2.023 -5.058 3.700 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.964 -3.878 2.809 1.00 0.00 H new ATOM 0 HG LEU A 42 -4.795 -5.498 2.547 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -4.739 -7.636 3.770 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -3.478 -7.559 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -3.047 -7.325 4.227 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -5.494 -5.583 4.910 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -3.832 -5.191 5.411 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -4.786 -4.006 4.487 1.00 0.00 H new ATOM 637 N MET A 43 -1.717 -4.155 -0.399 1.00 0.00 N ATOM 638 CA MET A 43 -1.123 -3.099 -1.201 1.00 0.00 C ATOM 639 C MET A 43 -1.724 -1.751 -0.824 1.00 0.00 C ATOM 640 O MET A 43 -2.806 -1.393 -1.291 1.00 0.00 O ATOM 641 CB MET A 43 -1.342 -3.387 -2.686 1.00 0.00 C ATOM 642 CG MET A 43 -0.222 -2.857 -3.567 1.00 0.00 C ATOM 643 SD MET A 43 -0.046 -1.066 -3.469 1.00 0.00 S ATOM 644 CE MET A 43 1.267 -0.923 -2.260 1.00 0.00 C ATOM 0 H MET A 43 -2.355 -4.764 -0.911 1.00 0.00 H new ATOM 0 HA MET A 43 -0.051 -3.065 -1.006 1.00 0.00 H new ATOM 0 HB2 MET A 43 -1.433 -4.463 -2.832 1.00 0.00 H new ATOM 0 HB3 MET A 43 -2.286 -2.942 -3.001 1.00 0.00 H new ATOM 0 HG2 MET A 43 0.717 -3.327 -3.275 1.00 0.00 H new ATOM 0 HG3 MET A 43 -0.413 -3.143 -4.601 1.00 0.00 H new ATOM 0 HE1 MET A 43 0.889 -0.421 -1.370 1.00 0.00 H new ATOM 0 HE2 MET A 43 1.624 -1.917 -1.992 1.00 0.00 H new ATOM 0 HE3 MET A 43 2.088 -0.344 -2.682 1.00 0.00 H new ATOM 654 N VAL A 44 -1.031 -1.015 0.040 1.00 0.00 N ATOM 655 CA VAL A 44 -1.519 0.280 0.489 1.00 0.00 C ATOM 656 C VAL A 44 -0.822 1.435 -0.201 1.00 0.00 C ATOM 657 O VAL A 44 0.394 1.435 -0.377 1.00 0.00 O ATOM 658 CB VAL A 44 -1.351 0.459 2.009 1.00 0.00 C ATOM 659 CG1 VAL A 44 -2.122 1.679 2.493 1.00 0.00 C ATOM 660 CG2 VAL A 44 -1.802 -0.789 2.741 1.00 0.00 C ATOM 0 H VAL A 44 -0.135 -1.293 0.440 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.577 0.294 0.228 1.00 0.00 H new ATOM 0 HB VAL A 44 -0.295 0.619 2.224 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -1.991 1.789 3.570 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -1.747 2.570 1.989 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -3.181 1.553 2.267 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -1.677 -0.646 3.814 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -2.852 -0.981 2.520 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -1.202 -1.639 2.415 1.00 0.00 H new ATOM 670 N ILE A 45 -1.612 2.437 -0.551 1.00 0.00 N ATOM 671 CA ILE A 45 -1.111 3.645 -1.182 1.00 0.00 C ATOM 672 C ILE A 45 -2.032 4.802 -0.819 1.00 0.00 C ATOM 673 O ILE A 45 -3.250 4.732 -1.014 1.00 0.00 O ATOM 674 CB ILE A 45 -0.977 3.505 -2.721 1.00 0.00 C ATOM 675 CG1 ILE A 45 -0.815 4.879 -3.376 1.00 0.00 C ATOM 676 CG2 ILE A 45 -2.163 2.761 -3.311 1.00 0.00 C ATOM 677 CD1 ILE A 45 -0.668 4.818 -4.881 1.00 0.00 C ATOM 0 H ILE A 45 -2.621 2.435 -0.405 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.104 3.834 -0.810 1.00 0.00 H new ATOM 0 HB ILE A 45 -0.082 2.919 -2.928 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.680 5.495 -3.128 1.00 0.00 H new ATOM 0 HG13 ILE A 45 0.060 5.373 -2.953 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -2.040 2.679 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.220 1.764 -2.875 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.081 3.306 -3.091 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -0.558 5.827 -5.277 1.00 0.00 H new ATOM 0 HD12 ILE A 45 0.213 4.229 -5.137 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -1.553 4.353 -5.315 1.00 0.00 H new ATOM 689 N ILE A 46 -1.462 5.847 -0.236 1.00 0.00 N ATOM 690 CA ILE A 46 -2.258 6.982 0.199 1.00 0.00 C ATOM 691 C ILE A 46 -1.752 8.285 -0.397 1.00 0.00 C ATOM 692 O ILE A 46 -0.549 8.485 -0.567 1.00 0.00 O ATOM 693 CB ILE A 46 -2.268 7.088 1.736 1.00 0.00 C ATOM 694 CG1 ILE A 46 -2.353 5.696 2.369 1.00 0.00 C ATOM 695 CG2 ILE A 46 -3.424 7.951 2.213 1.00 0.00 C ATOM 696 CD1 ILE A 46 -1.389 5.502 3.516 1.00 0.00 C ATOM 0 H ILE A 46 -0.462 5.931 -0.055 1.00 0.00 H new ATOM 0 HA ILE A 46 -3.274 6.813 -0.157 1.00 0.00 H new ATOM 0 HB ILE A 46 -1.336 7.560 2.047 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.369 5.528 2.725 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -2.154 4.944 1.605 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.409 8.010 3.301 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -3.328 8.953 1.794 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -4.366 7.510 1.887 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -1.501 4.495 3.919 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -0.368 5.639 3.160 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -1.602 6.231 4.297 1.00 0.00 H new ATOM 708 N HIS A 47 -2.689 9.168 -0.710 1.00 0.00 N ATOM 709 CA HIS A 47 -2.364 10.464 -1.286 1.00 0.00 C ATOM 710 C HIS A 47 -3.143 11.565 -0.579 1.00 0.00 C ATOM 711 O HIS A 47 -4.081 12.132 -1.139 1.00 0.00 O ATOM 712 CB HIS A 47 -2.689 10.492 -2.783 1.00 0.00 C ATOM 713 CG HIS A 47 -2.534 9.176 -3.481 1.00 0.00 C ATOM 714 ND1 HIS A 47 -1.770 9.021 -4.617 1.00 0.00 N ATOM 715 CD2 HIS A 47 -3.075 7.958 -3.225 1.00 0.00 C ATOM 716 CE1 HIS A 47 -1.850 7.771 -5.033 1.00 0.00 C ATOM 717 NE2 HIS A 47 -2.637 7.105 -4.208 1.00 0.00 N ATOM 0 H HIS A 47 -3.687 9.008 -0.573 1.00 0.00 H new ATOM 0 HA HIS A 47 -1.295 10.633 -1.154 1.00 0.00 H new ATOM 0 HB2 HIS A 47 -3.715 10.838 -2.912 1.00 0.00 H new ATOM 0 HB3 HIS A 47 -2.043 11.224 -3.268 1.00 0.00 H new ATOM 0 HD1 HIS A 47 -1.227 9.758 -5.067 1.00 0.00 H new ATOM 0 HD2 HIS A 47 -3.728 7.707 -2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 47 -1.355 7.362 -5.902 1.00 0.00 H new ATOM 726 N LYS A 48 -2.754 11.868 0.653 1.00 0.00 N ATOM 727 CA LYS A 48 -3.438 12.910 1.416 1.00 0.00 C ATOM 728 C LYS A 48 -2.828 14.276 1.116 1.00 0.00 C ATOM 729 O LYS A 48 -1.609 14.408 0.999 1.00 0.00 O ATOM 730 CB LYS A 48 -3.364 12.619 2.913 1.00 0.00 C ATOM 731 CG LYS A 48 -4.540 11.805 3.430 1.00 0.00 C ATOM 732 CD LYS A 48 -4.992 12.285 4.800 1.00 0.00 C ATOM 733 CE LYS A 48 -6.125 13.292 4.690 1.00 0.00 C ATOM 734 NZ LYS A 48 -6.039 14.342 5.741 1.00 0.00 N ATOM 0 H LYS A 48 -1.981 11.416 1.141 1.00 0.00 H new ATOM 0 HA LYS A 48 -4.486 12.920 1.117 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -2.439 12.083 3.126 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -3.318 13.562 3.457 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.370 11.876 2.727 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -4.259 10.753 3.486 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -5.318 11.433 5.396 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -4.150 12.738 5.324 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.100 13.760 3.706 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.080 12.774 4.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -6.400 15.241 5.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.609 14.058 6.563 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -5.048 14.462 6.032 1.00 0.00 H new ATOM 748 N SER A 49 -3.679 15.291 0.985 1.00 0.00 N ATOM 749 CA SER A 49 -3.209 16.642 0.691 1.00 0.00 C ATOM 750 C SER A 49 -2.492 16.679 -0.658 1.00 0.00 C ATOM 751 O SER A 49 -2.714 15.813 -1.505 1.00 0.00 O ATOM 752 CB SER A 49 -2.279 17.132 1.806 1.00 0.00 C ATOM 753 OG SER A 49 -0.940 16.736 1.566 1.00 0.00 O ATOM 0 H SER A 49 -4.691 15.205 1.077 1.00 0.00 H new ATOM 0 HA SER A 49 -4.071 17.307 0.638 1.00 0.00 H new ATOM 0 HB2 SER A 49 -2.333 18.218 1.877 1.00 0.00 H new ATOM 0 HB3 SER A 49 -2.613 16.733 2.764 1.00 0.00 H new ATOM 0 HG SER A 49 -0.915 15.779 1.355 1.00 0.00 H new ATOM 759 N TRP A 50 -1.630 17.679 -0.857 1.00 0.00 N ATOM 760 CA TRP A 50 -0.885 17.812 -2.109 1.00 0.00 C ATOM 761 C TRP A 50 -0.306 16.466 -2.540 1.00 0.00 C ATOM 762 O TRP A 50 0.165 15.691 -1.707 1.00 0.00 O ATOM 763 CB TRP A 50 0.238 18.839 -1.952 1.00 0.00 C ATOM 764 CG TRP A 50 1.252 18.457 -0.916 1.00 0.00 C ATOM 765 CD1 TRP A 50 1.068 18.412 0.436 1.00 0.00 C ATOM 766 CD2 TRP A 50 2.610 18.069 -1.150 1.00 0.00 C ATOM 767 NE1 TRP A 50 2.228 18.017 1.057 1.00 0.00 N ATOM 768 CE2 TRP A 50 3.190 17.801 0.106 1.00 0.00 C ATOM 769 CE3 TRP A 50 3.393 17.920 -2.298 1.00 0.00 C ATOM 770 CZ2 TRP A 50 4.513 17.393 0.243 1.00 0.00 C ATOM 771 CZ3 TRP A 50 4.708 17.516 -2.160 1.00 0.00 C ATOM 772 CH2 TRP A 50 5.257 17.256 -0.898 1.00 0.00 C ATOM 0 H TRP A 50 -1.432 18.406 -0.169 1.00 0.00 H new ATOM 0 HA TRP A 50 -1.574 18.155 -2.881 1.00 0.00 H new ATOM 0 HB2 TRP A 50 0.740 18.968 -2.911 1.00 0.00 H new ATOM 0 HB3 TRP A 50 -0.196 19.803 -1.687 1.00 0.00 H new ATOM 0 HD1 TRP A 50 0.145 18.652 0.943 1.00 0.00 H new ATOM 0 HE1 TRP A 50 2.353 17.903 2.063 1.00 0.00 H new ATOM 0 HE3 TRP A 50 2.978 18.117 -3.276 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 4.938 17.191 1.215 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 5.322 17.399 -3.040 1.00 0.00 H new ATOM 0 HH2 TRP A 50 6.287 16.941 -0.824 1.00 0.00 H new ATOM 783 N CYS A 51 -0.360 16.185 -3.837 1.00 0.00 N ATOM 784 CA CYS A 51 0.144 14.920 -4.356 1.00 0.00 C ATOM 785 C CYS A 51 0.544 15.037 -5.830 1.00 0.00 C ATOM 786 O CYS A 51 -0.112 15.729 -6.608 1.00 0.00 O ATOM 787 CB CYS A 51 -0.930 13.835 -4.181 1.00 0.00 C ATOM 788 SG CYS A 51 -0.683 12.334 -5.186 1.00 0.00 S ATOM 0 H CYS A 51 -0.745 16.812 -4.544 1.00 0.00 H new ATOM 0 HA CYS A 51 1.038 14.648 -3.795 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -0.967 13.548 -3.130 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -1.901 14.264 -4.428 1.00 0.00 H new ATOM 793 N GLY A 52 1.615 14.337 -6.205 1.00 0.00 N ATOM 794 CA GLY A 52 2.077 14.353 -7.585 1.00 0.00 C ATOM 795 C GLY A 52 2.136 12.961 -8.170 1.00 0.00 C ATOM 796 O GLY A 52 1.778 12.751 -9.329 1.00 0.00 O ATOM 0 H GLY A 52 2.172 13.758 -5.576 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.410 14.972 -8.185 1.00 0.00 H new ATOM 0 HA3 GLY A 52 3.065 14.810 -7.633 1.00 0.00 H new ATOM 800 N ALA A 53 2.576 12.000 -7.360 1.00 0.00 N ATOM 801 CA ALA A 53 2.659 10.615 -7.803 1.00 0.00 C ATOM 802 C ALA A 53 1.339 10.164 -8.378 1.00 0.00 C ATOM 803 O ALA A 53 1.290 9.267 -9.216 1.00 0.00 O ATOM 804 CB ALA A 53 3.087 9.709 -6.657 1.00 0.00 C ATOM 0 H ALA A 53 2.879 12.156 -6.399 1.00 0.00 H new ATOM 0 HA ALA A 53 3.414 10.549 -8.587 1.00 0.00 H new ATOM 0 HB1 ALA A 53 3.143 8.679 -7.009 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.065 10.021 -6.292 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.360 9.777 -5.848 1.00 0.00 H new ATOM 810 N CYS A 54 0.273 10.809 -7.945 1.00 0.00 N ATOM 811 CA CYS A 54 -1.038 10.479 -8.444 1.00 0.00 C ATOM 812 C CYS A 54 -1.236 11.104 -9.818 1.00 0.00 C ATOM 813 O CYS A 54 -1.904 10.537 -10.683 1.00 0.00 O ATOM 814 CB CYS A 54 -2.134 10.941 -7.475 1.00 0.00 C ATOM 815 SG CYS A 54 -1.889 12.619 -6.799 1.00 0.00 S ATOM 0 H CYS A 54 0.293 11.559 -7.254 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.113 9.395 -8.531 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -3.094 10.907 -7.990 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -2.191 10.234 -6.647 1.00 0.00 H new ATOM 820 N LYS A 55 -0.619 12.264 -10.021 1.00 0.00 N ATOM 821 CA LYS A 55 -0.696 12.953 -11.300 1.00 0.00 C ATOM 822 C LYS A 55 0.105 12.179 -12.340 1.00 0.00 C ATOM 823 O LYS A 55 -0.382 11.903 -13.436 1.00 0.00 O ATOM 824 CB LYS A 55 -0.164 14.384 -11.171 1.00 0.00 C ATOM 825 CG LYS A 55 -1.224 15.449 -11.398 1.00 0.00 C ATOM 826 CD LYS A 55 -0.597 16.799 -11.704 1.00 0.00 C ATOM 827 CE LYS A 55 -1.345 17.931 -11.016 1.00 0.00 C ATOM 828 NZ LYS A 55 -0.794 19.265 -11.384 1.00 0.00 N ATOM 0 H LYS A 55 -0.061 12.745 -9.315 1.00 0.00 H new ATOM 0 HA LYS A 55 -1.738 13.006 -11.616 1.00 0.00 H new ATOM 0 HB2 LYS A 55 0.264 14.515 -10.177 1.00 0.00 H new ATOM 0 HB3 LYS A 55 0.644 14.529 -11.888 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -1.870 15.151 -12.223 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -1.855 15.531 -10.513 1.00 0.00 H new ATOM 0 HD2 LYS A 55 0.444 16.800 -11.380 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -0.595 16.965 -12.781 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -2.400 17.887 -11.287 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -1.288 17.800 -9.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -1.331 20.009 -10.895 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 0.206 19.317 -11.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -0.872 19.401 -12.412 1.00 0.00 H new ATOM 842 N ALA A 56 1.331 11.813 -11.974 1.00 0.00 N ATOM 843 CA ALA A 56 2.194 11.043 -12.868 1.00 0.00 C ATOM 844 C ALA A 56 1.667 9.623 -13.047 1.00 0.00 C ATOM 845 O ALA A 56 2.094 8.912 -13.950 1.00 0.00 O ATOM 846 CB ALA A 56 3.617 11.016 -12.329 1.00 0.00 C ATOM 0 H ALA A 56 1.748 12.035 -11.070 1.00 0.00 H new ATOM 0 HA ALA A 56 2.195 11.528 -13.844 1.00 0.00 H new ATOM 0 HB1 ALA A 56 4.251 10.440 -13.003 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.998 12.035 -12.256 1.00 0.00 H new ATOM 0 HB3 ALA A 56 3.623 10.554 -11.342 1.00 0.00 H new ATOM 852 N LEU A 57 0.744 9.217 -12.177 1.00 0.00 N ATOM 853 CA LEU A 57 0.165 7.875 -12.231 1.00 0.00 C ATOM 854 C LEU A 57 -0.920 7.761 -13.304 1.00 0.00 C ATOM 855 O LEU A 57 -1.087 6.710 -13.913 1.00 0.00 O ATOM 856 CB LEU A 57 -0.433 7.506 -10.864 1.00 0.00 C ATOM 857 CG LEU A 57 0.506 6.799 -9.869 1.00 0.00 C ATOM 858 CD1 LEU A 57 0.078 5.354 -9.661 1.00 0.00 C ATOM 859 CD2 LEU A 57 1.956 6.865 -10.325 1.00 0.00 C ATOM 0 H LEU A 57 0.380 9.800 -11.424 1.00 0.00 H new ATOM 0 HA LEU A 57 0.969 7.185 -12.489 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -0.801 8.419 -10.395 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -1.297 6.863 -11.032 1.00 0.00 H new ATOM 0 HG LEU A 57 0.433 7.325 -8.917 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.754 4.872 -8.955 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -0.938 5.329 -9.266 1.00 0.00 H new ATOM 0 HD13 LEU A 57 0.110 4.824 -10.613 1.00 0.00 H new ATOM 0 HD21 LEU A 57 2.589 6.356 -9.599 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.055 6.379 -11.296 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.264 7.907 -10.408 1.00 0.00 H new ATOM 871 N LYS A 58 -1.678 8.827 -13.514 1.00 0.00 N ATOM 872 CA LYS A 58 -2.763 8.800 -14.493 1.00 0.00 C ATOM 873 C LYS A 58 -2.298 8.299 -15.871 1.00 0.00 C ATOM 874 O LYS A 58 -2.740 7.241 -16.328 1.00 0.00 O ATOM 875 CB LYS A 58 -3.428 10.176 -14.607 1.00 0.00 C ATOM 876 CG LYS A 58 -3.837 10.769 -13.267 1.00 0.00 C ATOM 877 CD LYS A 58 -4.602 12.070 -13.443 1.00 0.00 C ATOM 878 CE LYS A 58 -4.176 13.110 -12.419 1.00 0.00 C ATOM 879 NZ LYS A 58 -5.257 14.098 -12.147 1.00 0.00 N ATOM 0 H LYS A 58 -1.566 9.716 -13.026 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.502 8.086 -14.130 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -2.742 10.862 -15.104 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -4.310 10.092 -15.242 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -4.455 10.053 -12.725 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -2.949 10.947 -12.661 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -4.436 12.458 -14.448 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.671 11.880 -13.347 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -3.897 12.612 -11.490 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -3.289 13.632 -12.779 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -4.927 14.789 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -5.506 14.592 -13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -6.095 13.604 -11.779 1.00 0.00 H new ATOM 893 N PRO A 59 -1.400 9.034 -16.554 1.00 0.00 N ATOM 894 CA PRO A 59 -0.905 8.638 -17.879 1.00 0.00 C ATOM 895 C PRO A 59 0.083 7.484 -17.818 1.00 0.00 C ATOM 896 O PRO A 59 0.289 6.775 -18.804 1.00 0.00 O ATOM 897 CB PRO A 59 -0.208 9.898 -18.379 1.00 0.00 C ATOM 898 CG PRO A 59 0.267 10.565 -17.137 1.00 0.00 C ATOM 899 CD PRO A 59 -0.786 10.295 -16.098 1.00 0.00 C ATOM 0 HA PRO A 59 -1.711 8.285 -18.522 1.00 0.00 H new ATOM 0 HB2 PRO A 59 0.621 9.658 -19.045 1.00 0.00 H new ATOM 0 HB3 PRO A 59 -0.892 10.537 -18.938 1.00 0.00 H new ATOM 0 HG2 PRO A 59 1.234 10.169 -16.826 1.00 0.00 H new ATOM 0 HG3 PRO A 59 0.396 11.636 -17.293 1.00 0.00 H new ATOM 0 HD2 PRO A 59 -0.352 10.194 -15.103 1.00 0.00 H new ATOM 0 HD3 PRO A 59 -1.517 11.102 -16.047 1.00 0.00 H new ATOM 907 N LYS A 60 0.694 7.302 -16.658 1.00 0.00 N ATOM 908 CA LYS A 60 1.663 6.236 -16.472 1.00 0.00 C ATOM 909 C LYS A 60 0.981 4.971 -15.997 1.00 0.00 C ATOM 910 O LYS A 60 0.918 3.974 -16.714 1.00 0.00 O ATOM 911 CB LYS A 60 2.712 6.642 -15.443 1.00 0.00 C ATOM 912 CG LYS A 60 3.452 5.453 -14.851 1.00 0.00 C ATOM 913 CD LYS A 60 4.317 4.770 -15.893 1.00 0.00 C ATOM 914 CE LYS A 60 5.367 5.723 -16.445 1.00 0.00 C ATOM 915 NZ LYS A 60 5.337 5.781 -17.933 1.00 0.00 N ATOM 0 H LYS A 60 0.536 7.879 -15.832 1.00 0.00 H new ATOM 0 HA LYS A 60 2.143 6.052 -17.433 1.00 0.00 H new ATOM 0 HB2 LYS A 60 3.431 7.315 -15.911 1.00 0.00 H new ATOM 0 HB3 LYS A 60 2.229 7.199 -14.640 1.00 0.00 H new ATOM 0 HG2 LYS A 60 4.074 5.786 -14.020 1.00 0.00 H new ATOM 0 HG3 LYS A 60 2.734 4.740 -14.446 1.00 0.00 H new ATOM 0 HD2 LYS A 60 4.806 3.902 -15.451 1.00 0.00 H new ATOM 0 HD3 LYS A 60 3.691 4.404 -16.706 1.00 0.00 H new ATOM 0 HE2 LYS A 60 5.201 6.721 -16.039 1.00 0.00 H new ATOM 0 HE3 LYS A 60 6.356 5.405 -16.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 6.067 6.441 -18.269 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 5.521 4.834 -18.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 4.402 6.109 -18.249 1.00 0.00 H new ATOM 929 N PHE A 61 0.479 5.024 -14.769 1.00 0.00 N ATOM 930 CA PHE A 61 -0.192 3.891 -14.172 1.00 0.00 C ATOM 931 C PHE A 61 -1.247 3.339 -15.112 1.00 0.00 C ATOM 932 O PHE A 61 -1.627 2.176 -15.006 1.00 0.00 O ATOM 933 CB PHE A 61 -0.789 4.272 -12.830 1.00 0.00 C ATOM 934 CG PHE A 61 -1.169 3.080 -11.999 1.00 0.00 C ATOM 935 CD1 PHE A 61 -2.339 2.385 -12.257 1.00 0.00 C ATOM 936 CD2 PHE A 61 -0.350 2.649 -10.970 1.00 0.00 C ATOM 937 CE1 PHE A 61 -2.685 1.281 -11.502 1.00 0.00 C ATOM 938 CE2 PHE A 61 -0.692 1.546 -10.210 1.00 0.00 C ATOM 939 CZ PHE A 61 -1.860 0.862 -10.476 1.00 0.00 C ATOM 0 H PHE A 61 0.528 5.848 -14.170 1.00 0.00 H new ATOM 0 HA PHE A 61 0.541 3.104 -13.998 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -0.071 4.879 -12.278 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -1.671 4.891 -12.993 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -2.988 2.710 -13.057 1.00 0.00 H new ATOM 0 HD2 PHE A 61 0.566 3.180 -10.758 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -3.599 0.746 -11.714 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -0.045 1.220 -9.409 1.00 0.00 H new ATOM 0 HZ PHE A 61 -2.129 0.000 -9.883 1.00 0.00 H new ATOM 949 N ALA A 62 -1.687 4.152 -16.075 1.00 0.00 N ATOM 950 CA ALA A 62 -2.645 3.683 -17.060 1.00 0.00 C ATOM 951 C ALA A 62 -2.088 2.416 -17.732 1.00 0.00 C ATOM 952 O ALA A 62 -2.830 1.615 -18.300 1.00 0.00 O ATOM 953 CB ALA A 62 -2.918 4.775 -18.086 1.00 0.00 C ATOM 0 H ALA A 62 -1.396 5.123 -16.188 1.00 0.00 H new ATOM 0 HA ALA A 62 -3.591 3.440 -16.575 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -3.638 4.413 -18.820 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -3.323 5.653 -17.583 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -1.989 5.041 -18.590 1.00 0.00 H new ATOM 959 N GLU A 63 -0.764 2.248 -17.620 1.00 0.00 N ATOM 960 CA GLU A 63 -0.047 1.095 -18.160 1.00 0.00 C ATOM 961 C GLU A 63 -0.221 -0.115 -17.247 1.00 0.00 C ATOM 962 O GLU A 63 0.057 -1.255 -17.630 1.00 0.00 O ATOM 963 CB GLU A 63 1.442 1.437 -18.294 1.00 0.00 C ATOM 964 CG GLU A 63 2.138 0.698 -19.425 1.00 0.00 C ATOM 965 CD GLU A 63 3.065 1.593 -20.224 1.00 0.00 C ATOM 966 OE1 GLU A 63 2.592 2.625 -20.745 1.00 0.00 O ATOM 967 OE2 GLU A 63 4.264 1.261 -20.330 1.00 0.00 O ATOM 0 H GLU A 63 -0.158 2.918 -17.146 1.00 0.00 H new ATOM 0 HA GLU A 63 -0.455 0.851 -19.141 1.00 0.00 H new ATOM 0 HB2 GLU A 63 1.546 2.510 -18.454 1.00 0.00 H new ATOM 0 HB3 GLU A 63 1.945 1.204 -17.356 1.00 0.00 H new ATOM 0 HG2 GLU A 63 2.709 -0.134 -19.013 1.00 0.00 H new ATOM 0 HG3 GLU A 63 1.388 0.271 -20.091 1.00 0.00 H new ATOM 974 N SER A 64 -0.691 0.150 -16.035 1.00 0.00 N ATOM 975 CA SER A 64 -0.921 -0.880 -15.040 1.00 0.00 C ATOM 976 C SER A 64 -1.902 -1.942 -15.528 1.00 0.00 C ATOM 977 O SER A 64 -2.251 -2.845 -14.771 1.00 0.00 O ATOM 978 CB SER A 64 -1.454 -0.241 -13.767 1.00 0.00 C ATOM 979 OG SER A 64 -0.484 0.602 -13.169 1.00 0.00 O ATOM 0 H SER A 64 -0.923 1.091 -15.717 1.00 0.00 H new ATOM 0 HA SER A 64 0.031 -1.375 -14.848 1.00 0.00 H new ATOM 0 HB2 SER A 64 -2.350 0.336 -13.995 1.00 0.00 H new ATOM 0 HB3 SER A 64 -1.747 -1.019 -13.062 1.00 0.00 H new ATOM 0 HG SER A 64 -0.834 0.955 -12.324 1.00 0.00 H new ATOM 985 N THR A 65 -2.339 -1.855 -16.785 1.00 0.00 N ATOM 986 CA THR A 65 -3.257 -2.845 -17.325 1.00 0.00 C ATOM 987 C THR A 65 -2.743 -4.235 -16.995 1.00 0.00 C ATOM 988 O THR A 65 -3.504 -5.122 -16.613 1.00 0.00 O ATOM 989 CB THR A 65 -3.397 -2.679 -18.836 1.00 0.00 C ATOM 990 OG1 THR A 65 -3.164 -1.335 -19.218 1.00 0.00 O ATOM 991 CG2 THR A 65 -4.759 -3.074 -19.353 1.00 0.00 C ATOM 0 H THR A 65 -2.073 -1.117 -17.437 1.00 0.00 H new ATOM 0 HA THR A 65 -4.240 -2.704 -16.876 1.00 0.00 H new ATOM 0 HB THR A 65 -2.652 -3.346 -19.271 1.00 0.00 H new ATOM 0 HG1 THR A 65 -3.257 -1.250 -20.190 1.00 0.00 H new ATOM 0 HG21 THR A 65 -4.793 -2.933 -20.433 1.00 0.00 H new ATOM 0 HG22 THR A 65 -4.948 -4.122 -19.118 1.00 0.00 H new ATOM 0 HG23 THR A 65 -5.521 -2.453 -18.882 1.00 0.00 H new ATOM 999 N GLU A 66 -1.429 -4.394 -17.101 1.00 0.00 N ATOM 1000 CA GLU A 66 -0.796 -5.656 -16.765 1.00 0.00 C ATOM 1001 C GLU A 66 -0.634 -5.740 -15.261 1.00 0.00 C ATOM 1002 O GLU A 66 -0.688 -6.823 -14.680 1.00 0.00 O ATOM 1003 CB GLU A 66 0.555 -5.801 -17.468 1.00 0.00 C ATOM 1004 CG GLU A 66 1.593 -4.809 -16.983 1.00 0.00 C ATOM 1005 CD GLU A 66 1.876 -3.715 -17.993 1.00 0.00 C ATOM 1006 OE1 GLU A 66 1.801 -3.995 -19.208 1.00 0.00 O ATOM 1007 OE2 GLU A 66 2.174 -2.579 -17.570 1.00 0.00 O ATOM 0 H GLU A 66 -0.787 -3.667 -17.416 1.00 0.00 H new ATOM 0 HA GLU A 66 -1.427 -6.476 -17.109 1.00 0.00 H new ATOM 0 HB2 GLU A 66 0.930 -6.813 -17.314 1.00 0.00 H new ATOM 0 HB3 GLU A 66 0.414 -5.673 -18.541 1.00 0.00 H new ATOM 0 HG2 GLU A 66 1.251 -4.358 -16.052 1.00 0.00 H new ATOM 0 HG3 GLU A 66 2.519 -5.339 -16.759 1.00 0.00 H new ATOM 1014 N ILE A 67 -0.478 -4.580 -14.623 1.00 0.00 N ATOM 1015 CA ILE A 67 -0.363 -4.545 -13.181 1.00 0.00 C ATOM 1016 C ILE A 67 -1.693 -4.957 -12.563 1.00 0.00 C ATOM 1017 O ILE A 67 -1.754 -5.345 -11.396 1.00 0.00 O ATOM 1018 CB ILE A 67 0.052 -3.152 -12.668 1.00 0.00 C ATOM 1019 CG1 ILE A 67 1.422 -2.768 -13.235 1.00 0.00 C ATOM 1020 CG2 ILE A 67 0.073 -3.122 -11.145 1.00 0.00 C ATOM 1021 CD1 ILE A 67 1.923 -1.425 -12.751 1.00 0.00 C ATOM 0 H ILE A 67 -0.430 -3.670 -15.081 1.00 0.00 H new ATOM 0 HA ILE A 67 0.420 -5.243 -12.885 1.00 0.00 H new ATOM 0 HB ILE A 67 -0.683 -2.423 -13.009 1.00 0.00 H new ATOM 0 HG12 ILE A 67 2.146 -3.536 -12.964 1.00 0.00 H new ATOM 0 HG13 ILE A 67 1.365 -2.754 -14.323 1.00 0.00 H new ATOM 0 HG21 ILE A 67 0.368 -2.130 -10.805 1.00 0.00 H new ATOM 0 HG22 ILE A 67 -0.921 -3.356 -10.763 1.00 0.00 H new ATOM 0 HG23 ILE A 67 0.786 -3.859 -10.776 1.00 0.00 H new ATOM 0 HD11 ILE A 67 2.898 -1.219 -13.193 1.00 0.00 H new ATOM 0 HD12 ILE A 67 1.219 -0.646 -13.046 1.00 0.00 H new ATOM 0 HD13 ILE A 67 2.013 -1.440 -11.665 1.00 0.00 H new ATOM 1033 N SER A 68 -2.760 -4.905 -13.370 1.00 0.00 N ATOM 1034 CA SER A 68 -4.077 -5.311 -12.906 1.00 0.00 C ATOM 1035 C SER A 68 -4.038 -6.790 -12.557 1.00 0.00 C ATOM 1036 O SER A 68 -4.679 -7.240 -11.608 1.00 0.00 O ATOM 1037 CB SER A 68 -5.133 -5.046 -13.981 1.00 0.00 C ATOM 1038 OG SER A 68 -5.118 -6.060 -14.971 1.00 0.00 O ATOM 0 H SER A 68 -2.730 -4.587 -14.339 1.00 0.00 H new ATOM 0 HA SER A 68 -4.346 -4.731 -12.023 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.120 -4.997 -13.521 1.00 0.00 H new ATOM 0 HB3 SER A 68 -4.949 -4.077 -14.445 1.00 0.00 H new ATOM 0 HG SER A 68 -4.240 -6.080 -15.405 1.00 0.00 H new ATOM 1044 N GLU A 69 -3.247 -7.535 -13.327 1.00 0.00 N ATOM 1045 CA GLU A 69 -3.078 -8.959 -13.100 1.00 0.00 C ATOM 1046 C GLU A 69 -2.080 -9.170 -11.972 1.00 0.00 C ATOM 1047 O GLU A 69 -2.272 -10.025 -11.107 1.00 0.00 O ATOM 1048 CB GLU A 69 -2.592 -9.655 -14.374 1.00 0.00 C ATOM 1049 CG GLU A 69 -3.291 -9.178 -15.636 1.00 0.00 C ATOM 1050 CD GLU A 69 -4.793 -9.388 -15.583 1.00 0.00 C ATOM 1051 OE1 GLU A 69 -5.490 -8.537 -14.991 1.00 0.00 O ATOM 1052 OE2 GLU A 69 -5.271 -10.401 -16.135 1.00 0.00 O ATOM 0 H GLU A 69 -2.713 -7.169 -14.115 1.00 0.00 H new ATOM 0 HA GLU A 69 -4.039 -9.393 -12.823 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -1.519 -9.492 -14.480 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.742 -10.730 -14.270 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.080 -8.119 -15.786 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.883 -9.709 -16.496 1.00 0.00 H new ATOM 1059 N LEU A 70 -1.020 -8.366 -11.980 1.00 0.00 N ATOM 1060 CA LEU A 70 0.004 -8.445 -10.941 1.00 0.00 C ATOM 1061 C LEU A 70 -0.583 -8.079 -9.581 1.00 0.00 C ATOM 1062 O LEU A 70 0.006 -8.372 -8.542 1.00 0.00 O ATOM 1063 CB LEU A 70 1.174 -7.513 -11.262 1.00 0.00 C ATOM 1064 CG LEU A 70 2.214 -8.082 -12.227 1.00 0.00 C ATOM 1065 CD1 LEU A 70 1.577 -8.387 -13.571 1.00 0.00 C ATOM 1066 CD2 LEU A 70 3.375 -7.112 -12.391 1.00 0.00 C ATOM 0 H LEU A 70 -0.848 -7.655 -12.691 1.00 0.00 H new ATOM 0 HA LEU A 70 0.369 -9.472 -10.907 1.00 0.00 H new ATOM 0 HB2 LEU A 70 0.777 -6.590 -11.684 1.00 0.00 H new ATOM 0 HB3 LEU A 70 1.673 -7.248 -10.330 1.00 0.00 H new ATOM 0 HG LEU A 70 2.602 -9.012 -11.811 1.00 0.00 H new ATOM 0 HD11 LEU A 70 2.330 -8.791 -14.247 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.779 -9.117 -13.438 1.00 0.00 H new ATOM 0 HD13 LEU A 70 1.164 -7.471 -13.994 1.00 0.00 H new ATOM 0 HD21 LEU A 70 4.106 -7.533 -13.081 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.006 -6.166 -12.786 1.00 0.00 H new ATOM 0 HD23 LEU A 70 3.846 -6.942 -11.423 1.00 0.00 H new ATOM 1078 N SER A 71 -1.743 -7.431 -9.595 1.00 0.00 N ATOM 1079 CA SER A 71 -2.407 -7.024 -8.365 1.00 0.00 C ATOM 1080 C SER A 71 -2.849 -8.231 -7.549 1.00 0.00 C ATOM 1081 O SER A 71 -3.029 -8.135 -6.337 1.00 0.00 O ATOM 1082 CB SER A 71 -3.627 -6.176 -8.682 1.00 0.00 C ATOM 1083 OG SER A 71 -3.732 -5.076 -7.797 1.00 0.00 O ATOM 0 H SER A 71 -2.243 -7.177 -10.447 1.00 0.00 H new ATOM 0 HA SER A 71 -1.690 -6.445 -7.783 1.00 0.00 H new ATOM 0 HB2 SER A 71 -3.565 -5.815 -9.709 1.00 0.00 H new ATOM 0 HB3 SER A 71 -4.526 -6.788 -8.613 1.00 0.00 H new ATOM 0 HG SER A 71 -4.672 -4.941 -7.553 1.00 0.00 H new ATOM 1089 N HIS A 72 -3.022 -9.369 -8.215 1.00 0.00 N ATOM 1090 CA HIS A 72 -3.440 -10.590 -7.536 1.00 0.00 C ATOM 1091 C HIS A 72 -2.436 -10.959 -6.454 1.00 0.00 C ATOM 1092 O HIS A 72 -2.712 -11.783 -5.582 1.00 0.00 O ATOM 1093 CB HIS A 72 -3.579 -11.738 -8.537 1.00 0.00 C ATOM 1094 CG HIS A 72 -4.961 -11.873 -9.099 1.00 0.00 C ATOM 1095 ND1 HIS A 72 -5.849 -12.844 -8.685 1.00 0.00 N ATOM 1096 CD2 HIS A 72 -5.609 -11.153 -10.044 1.00 0.00 C ATOM 1097 CE1 HIS A 72 -6.982 -12.716 -9.354 1.00 0.00 C ATOM 1098 NE2 HIS A 72 -6.862 -11.696 -10.183 1.00 0.00 N ATOM 0 H HIS A 72 -2.880 -9.471 -9.220 1.00 0.00 H new ATOM 0 HA HIS A 72 -4.410 -10.413 -7.072 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -2.875 -11.584 -9.355 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -3.301 -12.672 -8.049 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -5.214 -10.308 -10.588 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -7.857 -13.340 -9.241 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -7.584 -11.365 -10.823 1.00 0.00 H new ATOM 1107 N ASN A 73 -1.266 -10.336 -6.525 1.00 0.00 N ATOM 1108 CA ASN A 73 -0.202 -10.580 -5.568 1.00 0.00 C ATOM 1109 C ASN A 73 -0.520 -9.944 -4.209 1.00 0.00 C ATOM 1110 O ASN A 73 -0.051 -10.410 -3.171 1.00 0.00 O ATOM 1111 CB ASN A 73 1.103 -10.042 -6.138 1.00 0.00 C ATOM 1112 CG ASN A 73 1.618 -10.911 -7.270 1.00 0.00 C ATOM 1113 OD1 ASN A 73 2.466 -11.781 -7.064 1.00 0.00 O ATOM 1114 ND2 ASN A 73 1.108 -10.683 -8.476 1.00 0.00 N ATOM 0 H ASN A 73 -1.032 -9.652 -7.244 1.00 0.00 H new ATOM 0 HA ASN A 73 -0.107 -11.653 -5.399 1.00 0.00 H new ATOM 0 HB2 ASN A 73 0.951 -9.025 -6.499 1.00 0.00 H new ATOM 0 HB3 ASN A 73 1.852 -9.991 -5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 73 1.417 -11.238 -9.274 1.00 0.00 H new ATOM 0 HD22 ASN A 73 0.407 -9.953 -8.604 1.00 0.00 H new ATOM 1121 N PHE A 74 -1.333 -8.891 -4.233 1.00 0.00 N ATOM 1122 CA PHE A 74 -1.754 -8.187 -3.023 1.00 0.00 C ATOM 1123 C PHE A 74 -3.165 -7.647 -3.238 1.00 0.00 C ATOM 1124 O PHE A 74 -3.865 -8.126 -4.130 1.00 0.00 O ATOM 1125 CB PHE A 74 -0.780 -7.059 -2.689 1.00 0.00 C ATOM 1126 CG PHE A 74 -0.229 -6.347 -3.888 1.00 0.00 C ATOM 1127 CD1 PHE A 74 -1.073 -5.845 -4.863 1.00 0.00 C ATOM 1128 CD2 PHE A 74 1.137 -6.181 -4.033 1.00 0.00 C ATOM 1129 CE1 PHE A 74 -0.563 -5.189 -5.966 1.00 0.00 C ATOM 1130 CE2 PHE A 74 1.654 -5.526 -5.133 1.00 0.00 C ATOM 1131 CZ PHE A 74 0.802 -5.028 -6.101 1.00 0.00 C ATOM 0 H PHE A 74 -1.719 -8.501 -5.093 1.00 0.00 H new ATOM 0 HA PHE A 74 -1.755 -8.875 -2.178 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -1.286 -6.334 -2.051 1.00 0.00 H new ATOM 0 HB3 PHE A 74 0.049 -7.469 -2.111 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.141 -5.967 -4.760 1.00 0.00 H new ATOM 0 HD2 PHE A 74 1.806 -6.568 -3.278 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -1.231 -4.802 -6.722 1.00 0.00 H new ATOM 0 HE2 PHE A 74 2.722 -5.403 -5.237 1.00 0.00 H new ATOM 0 HZ PHE A 74 1.203 -4.514 -6.962 1.00 0.00 H new ATOM 1141 N VAL A 75 -3.617 -6.676 -2.442 1.00 0.00 N ATOM 1142 CA VAL A 75 -4.974 -6.174 -2.650 1.00 0.00 C ATOM 1143 C VAL A 75 -5.190 -4.685 -2.351 1.00 0.00 C ATOM 1144 O VAL A 75 -4.629 -4.101 -1.424 1.00 0.00 O ATOM 1145 CB VAL A 75 -6.016 -6.982 -1.853 1.00 0.00 C ATOM 1146 CG1 VAL A 75 -5.851 -6.751 -0.357 1.00 0.00 C ATOM 1147 CG2 VAL A 75 -7.430 -6.620 -2.312 1.00 0.00 C ATOM 0 H VAL A 75 -3.093 -6.240 -1.683 1.00 0.00 H new ATOM 0 HA VAL A 75 -5.114 -6.303 -3.723 1.00 0.00 H new ATOM 0 HB VAL A 75 -5.854 -8.043 -2.045 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -6.597 -7.332 0.185 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.853 -7.064 -0.048 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.984 -5.692 -0.136 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -8.157 -7.198 -1.741 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.604 -5.556 -2.150 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -7.538 -6.848 -3.372 1.00 0.00 H new ATOM 1157 N MET A 76 -6.061 -4.132 -3.185 1.00 0.00 N ATOM 1158 CA MET A 76 -6.524 -2.755 -3.179 1.00 0.00 C ATOM 1159 C MET A 76 -6.727 -2.105 -1.811 1.00 0.00 C ATOM 1160 O MET A 76 -7.736 -2.359 -1.144 1.00 0.00 O ATOM 1161 CB MET A 76 -7.886 -2.794 -3.836 1.00 0.00 C ATOM 1162 CG MET A 76 -8.708 -4.021 -3.419 1.00 0.00 C ATOM 1163 SD MET A 76 -8.761 -5.316 -4.697 1.00 0.00 S ATOM 1164 CE MET A 76 -9.880 -6.500 -3.949 1.00 0.00 C ATOM 0 H MET A 76 -6.491 -4.674 -3.935 1.00 0.00 H new ATOM 0 HA MET A 76 -5.753 -2.163 -3.672 1.00 0.00 H new ATOM 0 HB2 MET A 76 -8.436 -1.889 -3.578 1.00 0.00 H new ATOM 0 HB3 MET A 76 -7.763 -2.795 -4.919 1.00 0.00 H new ATOM 0 HG2 MET A 76 -8.287 -4.439 -2.505 1.00 0.00 H new ATOM 0 HG3 MET A 76 -9.726 -3.707 -3.187 1.00 0.00 H new ATOM 0 HE1 MET A 76 -9.348 -7.432 -3.757 1.00 0.00 H new ATOM 0 HE2 MET A 76 -10.260 -6.098 -3.009 1.00 0.00 H new ATOM 0 HE3 MET A 76 -10.713 -6.690 -4.625 1.00 0.00 H new ATOM 1174 N VAL A 77 -5.817 -1.194 -1.451 1.00 0.00 N ATOM 1175 CA VAL A 77 -5.929 -0.434 -0.205 1.00 0.00 C ATOM 1176 C VAL A 77 -5.403 0.990 -0.373 1.00 0.00 C ATOM 1177 O VAL A 77 -4.428 1.385 0.264 1.00 0.00 O ATOM 1178 CB VAL A 77 -5.183 -1.114 0.960 1.00 0.00 C ATOM 1179 CG1 VAL A 77 -5.159 -0.223 2.198 1.00 0.00 C ATOM 1180 CG2 VAL A 77 -5.837 -2.433 1.283 1.00 0.00 C ATOM 0 H VAL A 77 -4.993 -0.966 -2.008 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.991 -0.401 0.036 1.00 0.00 H new ATOM 0 HB VAL A 77 -4.152 -1.286 0.651 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.626 -0.731 3.002 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -4.654 0.714 1.962 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.181 -0.014 2.516 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -5.306 -2.910 2.107 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -6.875 -2.264 1.569 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -5.803 -3.080 0.407 1.00 0.00 H new ATOM 1190 N ASN A 78 -6.054 1.761 -1.228 1.00 0.00 N ATOM 1191 CA ASN A 78 -5.645 3.134 -1.459 1.00 0.00 C ATOM 1192 C ASN A 78 -6.650 4.119 -0.889 1.00 0.00 C ATOM 1193 O ASN A 78 -7.748 4.287 -1.420 1.00 0.00 O ATOM 1194 CB ASN A 78 -5.454 3.396 -2.949 1.00 0.00 C ATOM 1195 CG ASN A 78 -5.818 4.809 -3.360 1.00 0.00 C ATOM 1196 OD1 ASN A 78 -6.859 5.045 -3.973 1.00 0.00 O ATOM 1197 ND2 ASN A 78 -4.962 5.758 -3.016 1.00 0.00 N ATOM 0 H ASN A 78 -6.864 1.461 -1.771 1.00 0.00 H new ATOM 0 HA ASN A 78 -4.695 3.280 -0.945 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -4.414 3.204 -3.214 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -6.063 2.692 -3.516 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -5.154 6.730 -3.259 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -4.111 5.517 -2.508 1.00 0.00 H new ATOM 1204 N LEU A 79 -6.249 4.786 0.175 1.00 0.00 N ATOM 1205 CA LEU A 79 -7.104 5.791 0.805 1.00 0.00 C ATOM 1206 C LEU A 79 -6.512 7.186 0.603 1.00 0.00 C ATOM 1207 O LEU A 79 -5.318 7.325 0.349 1.00 0.00 O ATOM 1208 CB LEU A 79 -7.297 5.490 2.295 1.00 0.00 C ATOM 1209 CG LEU A 79 -6.113 5.835 3.200 1.00 0.00 C ATOM 1210 CD1 LEU A 79 -6.235 7.261 3.718 1.00 0.00 C ATOM 1211 CD2 LEU A 79 -6.024 4.852 4.357 1.00 0.00 C ATOM 0 H LEU A 79 -5.343 4.657 0.625 1.00 0.00 H new ATOM 0 HA LEU A 79 -8.085 5.758 0.330 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -8.171 6.037 2.647 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -7.519 4.429 2.407 1.00 0.00 H new ATOM 0 HG LEU A 79 -5.197 5.760 2.614 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.384 7.489 4.360 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -6.251 7.954 2.877 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -7.158 7.363 4.289 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -5.176 5.112 4.991 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.942 4.896 4.943 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.890 3.843 3.968 1.00 0.00 H new ATOM 1223 N GLU A 80 -7.348 8.217 0.699 1.00 0.00 N ATOM 1224 CA GLU A 80 -6.888 9.595 0.514 1.00 0.00 C ATOM 1225 C GLU A 80 -8.036 10.587 0.675 1.00 0.00 C ATOM 1226 O GLU A 80 -8.562 11.112 -0.307 1.00 0.00 O ATOM 1227 CB GLU A 80 -6.247 9.766 -0.866 1.00 0.00 C ATOM 1228 CG GLU A 80 -7.210 9.542 -2.018 1.00 0.00 C ATOM 1229 CD GLU A 80 -6.565 8.817 -3.182 1.00 0.00 C ATOM 1230 OE1 GLU A 80 -5.862 9.478 -3.975 1.00 0.00 O ATOM 1231 OE2 GLU A 80 -6.762 7.591 -3.301 1.00 0.00 O ATOM 0 H GLU A 80 -8.343 8.128 0.903 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.144 9.801 1.283 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.831 10.771 -0.942 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -5.414 9.069 -0.959 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -8.066 8.966 -1.665 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -7.592 10.504 -2.360 1.00 0.00 H new ATOM 1238 N ASP A 81 -8.420 10.844 1.917 1.00 0.00 N ATOM 1239 CA ASP A 81 -9.505 11.778 2.203 1.00 0.00 C ATOM 1240 C ASP A 81 -9.140 12.704 3.367 1.00 0.00 C ATOM 1241 O ASP A 81 -8.458 13.712 3.174 1.00 0.00 O ATOM 1242 CB ASP A 81 -10.809 11.021 2.493 1.00 0.00 C ATOM 1243 CG ASP A 81 -10.575 9.670 3.142 1.00 0.00 C ATOM 1244 OD1 ASP A 81 -9.921 8.813 2.511 1.00 0.00 O ATOM 1245 OD2 ASP A 81 -11.045 9.468 4.281 1.00 0.00 O ATOM 0 H ASP A 81 -7.998 10.421 2.744 1.00 0.00 H new ATOM 0 HA ASP A 81 -9.660 12.398 1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -11.438 11.627 3.145 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -11.357 10.881 1.561 1.00 0.00 H new ATOM 1250 N GLU A 82 -9.597 12.362 4.571 1.00 0.00 N ATOM 1251 CA GLU A 82 -9.318 13.166 5.755 1.00 0.00 C ATOM 1252 C GLU A 82 -8.771 12.310 6.898 1.00 0.00 C ATOM 1253 O GLU A 82 -8.236 12.836 7.873 1.00 0.00 O ATOM 1254 CB GLU A 82 -10.586 13.892 6.209 1.00 0.00 C ATOM 1255 CG GLU A 82 -11.025 14.997 5.261 1.00 0.00 C ATOM 1256 CD GLU A 82 -11.353 16.289 5.982 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -12.392 16.339 6.671 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -10.567 17.254 5.858 1.00 0.00 O ATOM 0 H GLU A 82 -10.163 11.532 4.750 1.00 0.00 H new ATOM 0 HA GLU A 82 -8.556 13.898 5.488 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -11.394 13.167 6.309 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -10.417 14.318 7.198 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -10.234 15.182 4.534 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -11.900 14.665 4.703 1.00 0.00 H new ATOM 1265 N GLU A 83 -8.914 10.987 6.779 1.00 0.00 N ATOM 1266 CA GLU A 83 -8.439 10.059 7.804 1.00 0.00 C ATOM 1267 C GLU A 83 -7.049 10.445 8.309 1.00 0.00 C ATOM 1268 O GLU A 83 -6.906 10.998 9.398 1.00 0.00 O ATOM 1269 CB GLU A 83 -8.415 8.633 7.252 1.00 0.00 C ATOM 1270 CG GLU A 83 -9.697 7.857 7.510 1.00 0.00 C ATOM 1271 CD GLU A 83 -9.801 6.606 6.659 1.00 0.00 C ATOM 1272 OE1 GLU A 83 -8.842 5.805 6.664 1.00 0.00 O ATOM 1273 OE2 GLU A 83 -10.840 6.428 5.991 1.00 0.00 O ATOM 0 H GLU A 83 -9.357 10.535 5.979 1.00 0.00 H new ATOM 0 HA GLU A 83 -9.130 10.111 8.646 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -8.234 8.671 6.178 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -7.579 8.094 7.697 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -9.745 7.581 8.563 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -10.554 8.501 7.310 1.00 0.00 H new ATOM 1280 N GLU A 84 -6.029 10.145 7.512 1.00 0.00 N ATOM 1281 CA GLU A 84 -4.654 10.458 7.881 1.00 0.00 C ATOM 1282 C GLU A 84 -4.283 9.790 9.204 1.00 0.00 C ATOM 1283 O GLU A 84 -4.322 10.420 10.260 1.00 0.00 O ATOM 1284 CB GLU A 84 -4.465 11.973 7.993 1.00 0.00 C ATOM 1285 CG GLU A 84 -3.042 12.431 7.717 1.00 0.00 C ATOM 1286 CD GLU A 84 -2.834 13.901 8.019 1.00 0.00 C ATOM 1287 OE1 GLU A 84 -3.322 14.743 7.236 1.00 0.00 O ATOM 1288 OE2 GLU A 84 -2.184 14.213 9.039 1.00 0.00 O ATOM 0 H GLU A 84 -6.129 9.686 6.607 1.00 0.00 H new ATOM 0 HA GLU A 84 -3.997 10.074 7.100 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.139 12.467 7.293 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.753 12.294 8.994 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -2.351 11.839 8.317 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.799 12.241 6.672 1.00 0.00 H new ATOM 1295 N PRO A 85 -3.915 8.496 9.162 1.00 0.00 N ATOM 1296 CA PRO A 85 -3.539 7.744 10.362 1.00 0.00 C ATOM 1297 C PRO A 85 -2.529 8.492 11.226 1.00 0.00 C ATOM 1298 O PRO A 85 -1.754 9.307 10.727 1.00 0.00 O ATOM 1299 CB PRO A 85 -2.917 6.468 9.794 1.00 0.00 C ATOM 1300 CG PRO A 85 -3.580 6.283 8.474 1.00 0.00 C ATOM 1301 CD PRO A 85 -3.842 7.668 7.942 1.00 0.00 C ATOM 0 HA PRO A 85 -4.392 7.566 11.017 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -1.837 6.568 9.685 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -3.094 5.615 10.449 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -2.943 5.718 7.793 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -4.509 5.723 8.579 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -3.044 8.001 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.770 7.710 7.372 1.00 0.00 H new ATOM 1309 N LYS A 86 -2.548 8.211 12.525 1.00 0.00 N ATOM 1310 CA LYS A 86 -1.633 8.858 13.459 1.00 0.00 C ATOM 1311 C LYS A 86 -0.513 7.909 13.870 1.00 0.00 C ATOM 1312 O LYS A 86 -0.179 7.796 15.050 1.00 0.00 O ATOM 1313 CB LYS A 86 -2.394 9.337 14.697 1.00 0.00 C ATOM 1314 CG LYS A 86 -1.796 10.581 15.331 1.00 0.00 C ATOM 1315 CD LYS A 86 -2.819 11.322 16.177 1.00 0.00 C ATOM 1316 CE LYS A 86 -2.203 11.841 17.467 1.00 0.00 C ATOM 1317 NZ LYS A 86 -2.357 10.871 18.585 1.00 0.00 N ATOM 0 H LYS A 86 -3.186 7.541 12.954 1.00 0.00 H new ATOM 0 HA LYS A 86 -1.188 9.718 12.958 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -3.429 9.541 14.422 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -2.412 8.535 15.435 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -0.944 10.301 15.951 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -1.419 11.243 14.551 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -3.229 12.156 15.607 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -3.650 10.657 16.411 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -1.144 12.046 17.307 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -2.673 12.786 17.739 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -1.924 11.262 19.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -3.368 10.695 18.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -1.887 9.977 18.336 1.00 0.00 H new ATOM 1331 N ASP A 87 0.065 7.228 12.887 1.00 0.00 N ATOM 1332 CA ASP A 87 1.149 6.287 13.143 1.00 0.00 C ATOM 1333 C ASP A 87 2.056 6.166 11.922 1.00 0.00 C ATOM 1334 O ASP A 87 2.013 7.001 11.020 1.00 0.00 O ATOM 1335 CB ASP A 87 0.581 4.916 13.521 1.00 0.00 C ATOM 1336 CG ASP A 87 1.031 4.465 14.897 1.00 0.00 C ATOM 1337 OD1 ASP A 87 2.113 4.904 15.342 1.00 0.00 O ATOM 1338 OD2 ASP A 87 0.301 3.675 15.532 1.00 0.00 O ATOM 0 H ASP A 87 -0.199 7.310 11.905 1.00 0.00 H new ATOM 0 HA ASP A 87 1.743 6.663 13.976 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -0.508 4.956 13.493 1.00 0.00 H new ATOM 0 HB3 ASP A 87 0.892 4.180 12.780 1.00 0.00 H new ATOM 1343 N GLU A 88 2.877 5.122 11.899 1.00 0.00 N ATOM 1344 CA GLU A 88 3.792 4.897 10.786 1.00 0.00 C ATOM 1345 C GLU A 88 3.061 4.306 9.581 1.00 0.00 C ATOM 1346 O GLU A 88 3.536 4.398 8.453 1.00 0.00 O ATOM 1347 CB GLU A 88 4.924 3.965 11.213 1.00 0.00 C ATOM 1348 CG GLU A 88 5.927 4.620 12.140 1.00 0.00 C ATOM 1349 CD GLU A 88 5.467 4.631 13.584 1.00 0.00 C ATOM 1350 OE1 GLU A 88 4.792 5.603 13.984 1.00 0.00 O ATOM 1351 OE2 GLU A 88 5.783 3.669 14.316 1.00 0.00 O ATOM 0 H GLU A 88 2.928 4.419 12.637 1.00 0.00 H new ATOM 0 HA GLU A 88 4.209 5.861 10.495 1.00 0.00 H new ATOM 0 HB2 GLU A 88 4.498 3.092 11.709 1.00 0.00 H new ATOM 0 HB3 GLU A 88 5.443 3.605 10.324 1.00 0.00 H new ATOM 0 HG2 GLU A 88 6.879 4.093 12.070 1.00 0.00 H new ATOM 0 HG3 GLU A 88 6.105 5.644 11.812 1.00 0.00 H new ATOM 1358 N ASP A 89 1.908 3.693 9.829 1.00 0.00 N ATOM 1359 CA ASP A 89 1.118 3.076 8.765 1.00 0.00 C ATOM 1360 C ASP A 89 0.936 4.005 7.563 1.00 0.00 C ATOM 1361 O ASP A 89 0.650 3.543 6.460 1.00 0.00 O ATOM 1362 CB ASP A 89 -0.247 2.645 9.301 1.00 0.00 C ATOM 1363 CG ASP A 89 -0.688 1.306 8.739 1.00 0.00 C ATOM 1364 OD1 ASP A 89 0.183 0.432 8.532 1.00 0.00 O ATOM 1365 OD2 ASP A 89 -1.903 1.131 8.507 1.00 0.00 O ATOM 0 H ASP A 89 1.498 3.609 10.759 1.00 0.00 H new ATOM 0 HA ASP A 89 1.670 2.201 8.422 1.00 0.00 H new ATOM 0 HB2 ASP A 89 -0.206 2.585 10.389 1.00 0.00 H new ATOM 0 HB3 ASP A 89 -0.989 3.404 9.052 1.00 0.00 H new ATOM 1370 N PHE A 90 1.091 5.311 7.771 1.00 0.00 N ATOM 1371 CA PHE A 90 0.931 6.272 6.681 1.00 0.00 C ATOM 1372 C PHE A 90 2.274 6.861 6.249 1.00 0.00 C ATOM 1373 O PHE A 90 2.446 7.244 5.089 1.00 0.00 O ATOM 1374 CB PHE A 90 -0.038 7.388 7.092 1.00 0.00 C ATOM 1375 CG PHE A 90 0.581 8.449 7.957 1.00 0.00 C ATOM 1376 CD1 PHE A 90 1.314 9.479 7.394 1.00 0.00 C ATOM 1377 CD2 PHE A 90 0.426 8.416 9.335 1.00 0.00 C ATOM 1378 CE1 PHE A 90 1.883 10.456 8.185 1.00 0.00 C ATOM 1379 CE2 PHE A 90 0.994 9.391 10.132 1.00 0.00 C ATOM 1380 CZ PHE A 90 1.724 10.413 9.557 1.00 0.00 C ATOM 0 H PHE A 90 1.325 5.725 8.673 1.00 0.00 H new ATOM 0 HA PHE A 90 0.514 5.739 5.826 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -0.439 7.856 6.193 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -0.880 6.946 7.624 1.00 0.00 H new ATOM 0 HD1 PHE A 90 1.442 9.519 6.322 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -0.145 7.620 9.790 1.00 0.00 H new ATOM 0 HE1 PHE A 90 2.452 11.254 7.732 1.00 0.00 H new ATOM 0 HE2 PHE A 90 0.867 9.354 11.204 1.00 0.00 H new ATOM 0 HZ PHE A 90 2.169 11.176 10.178 1.00 0.00 H new ATOM 1390 N SER A 91 3.221 6.937 7.181 1.00 0.00 N ATOM 1391 CA SER A 91 4.542 7.482 6.881 1.00 0.00 C ATOM 1392 C SER A 91 5.558 7.123 7.965 1.00 0.00 C ATOM 1393 O SER A 91 5.876 7.947 8.824 1.00 0.00 O ATOM 1394 CB SER A 91 4.467 9.003 6.726 1.00 0.00 C ATOM 1395 OG SER A 91 3.575 9.367 5.687 1.00 0.00 O ATOM 0 H SER A 91 3.099 6.630 8.146 1.00 0.00 H new ATOM 0 HA SER A 91 4.875 7.038 5.943 1.00 0.00 H new ATOM 0 HB2 SER A 91 4.140 9.451 7.664 1.00 0.00 H new ATOM 0 HB3 SER A 91 5.460 9.399 6.513 1.00 0.00 H new ATOM 0 HG SER A 91 3.511 8.635 5.039 1.00 0.00 H new ATOM 1401 N PRO A 92 6.089 5.887 7.937 1.00 0.00 N ATOM 1402 CA PRO A 92 7.079 5.427 8.916 1.00 0.00 C ATOM 1403 C PRO A 92 8.407 6.166 8.776 1.00 0.00 C ATOM 1404 O PRO A 92 8.889 6.781 9.725 1.00 0.00 O ATOM 1405 CB PRO A 92 7.265 3.937 8.585 1.00 0.00 C ATOM 1406 CG PRO A 92 6.130 3.583 7.684 1.00 0.00 C ATOM 1407 CD PRO A 92 5.775 4.846 6.953 1.00 0.00 C ATOM 0 HA PRO A 92 6.747 5.607 9.939 1.00 0.00 H new ATOM 0 HB2 PRO A 92 8.223 3.760 8.097 1.00 0.00 H new ATOM 0 HB3 PRO A 92 7.252 3.330 9.490 1.00 0.00 H new ATOM 0 HG2 PRO A 92 6.416 2.795 6.987 1.00 0.00 H new ATOM 0 HG3 PRO A 92 5.280 3.210 8.255 1.00 0.00 H new ATOM 0 HD2 PRO A 92 6.358 4.963 6.040 1.00 0.00 H new ATOM 0 HD3 PRO A 92 4.724 4.865 6.665 1.00 0.00 H new ATOM 1415 N ASP A 93 8.990 6.097 7.584 1.00 0.00 N ATOM 1416 CA ASP A 93 10.263 6.756 7.311 1.00 0.00 C ATOM 1417 C ASP A 93 10.053 8.037 6.511 1.00 0.00 C ATOM 1418 O ASP A 93 10.257 8.062 5.297 1.00 0.00 O ATOM 1419 CB ASP A 93 11.197 5.816 6.547 1.00 0.00 C ATOM 1420 CG ASP A 93 10.514 5.165 5.361 1.00 0.00 C ATOM 1421 OD1 ASP A 93 10.455 5.800 4.287 1.00 0.00 O ATOM 1422 OD2 ASP A 93 10.039 4.018 5.505 1.00 0.00 O ATOM 0 H ASP A 93 8.600 5.590 6.789 1.00 0.00 H new ATOM 0 HA ASP A 93 10.719 7.014 8.267 1.00 0.00 H new ATOM 0 HB2 ASP A 93 12.067 6.374 6.201 1.00 0.00 H new ATOM 0 HB3 ASP A 93 11.562 5.043 7.223 1.00 0.00 H new ATOM 1427 N GLY A 94 9.645 9.100 7.197 1.00 0.00 N ATOM 1428 CA GLY A 94 9.418 10.368 6.529 1.00 0.00 C ATOM 1429 C GLY A 94 8.404 11.232 7.253 1.00 0.00 C ATOM 1430 O GLY A 94 7.849 10.827 8.274 1.00 0.00 O ATOM 0 H GLY A 94 9.468 9.106 8.201 1.00 0.00 H new ATOM 0 HA2 GLY A 94 10.362 10.908 6.452 1.00 0.00 H new ATOM 0 HA3 GLY A 94 9.072 10.183 5.512 1.00 0.00 H new ATOM 1434 N GLY A 95 8.163 12.426 6.720 1.00 0.00 N ATOM 1435 CA GLY A 95 7.210 13.333 7.333 1.00 0.00 C ATOM 1436 C GLY A 95 6.025 13.635 6.432 1.00 0.00 C ATOM 1437 O GLY A 95 5.007 14.152 6.895 1.00 0.00 O ATOM 0 H GLY A 95 8.610 12.781 5.875 1.00 0.00 H new ATOM 0 HA2 GLY A 95 6.850 12.899 8.266 1.00 0.00 H new ATOM 0 HA3 GLY A 95 7.714 14.265 7.588 1.00 0.00 H new ATOM 1441 N TYR A 96 6.156 13.318 5.145 1.00 0.00 N ATOM 1442 CA TYR A 96 5.082 13.564 4.180 1.00 0.00 C ATOM 1443 C TYR A 96 3.742 13.069 4.714 1.00 0.00 C ATOM 1444 O TYR A 96 3.680 12.430 5.763 1.00 0.00 O ATOM 1445 CB TYR A 96 5.381 12.900 2.830 1.00 0.00 C ATOM 1446 CG TYR A 96 6.133 11.585 2.926 1.00 0.00 C ATOM 1447 CD1 TYR A 96 7.511 11.561 3.110 1.00 0.00 C ATOM 1448 CD2 TYR A 96 5.465 10.369 2.830 1.00 0.00 C ATOM 1449 CE1 TYR A 96 8.200 10.368 3.196 1.00 0.00 C ATOM 1450 CE2 TYR A 96 6.150 9.169 2.914 1.00 0.00 C ATOM 1451 CZ TYR A 96 7.517 9.177 3.098 1.00 0.00 C ATOM 1452 OH TYR A 96 8.202 7.990 3.192 1.00 0.00 O ATOM 0 H TYR A 96 6.992 12.891 4.746 1.00 0.00 H new ATOM 0 HA TYR A 96 5.024 14.642 4.030 1.00 0.00 H new ATOM 0 HB2 TYR A 96 4.440 12.728 2.308 1.00 0.00 H new ATOM 0 HB3 TYR A 96 5.962 13.592 2.220 1.00 0.00 H new ATOM 0 HD1 TYR A 96 8.052 12.493 3.187 1.00 0.00 H new ATOM 0 HD2 TYR A 96 4.394 10.361 2.688 1.00 0.00 H new ATOM 0 HE1 TYR A 96 9.270 10.369 3.340 1.00 0.00 H new ATOM 0 HE2 TYR A 96 5.618 8.233 2.836 1.00 0.00 H new ATOM 0 HH TYR A 96 9.067 8.075 2.740 1.00 0.00 H new ATOM 1462 N ILE A 97 2.669 13.374 3.990 1.00 0.00 N ATOM 1463 CA ILE A 97 1.333 12.965 4.412 1.00 0.00 C ATOM 1464 C ILE A 97 0.358 12.843 3.201 1.00 0.00 C ATOM 1465 O ILE A 97 -0.348 13.839 3.056 1.00 0.00 O ATOM 1466 CB ILE A 97 0.765 13.946 5.465 1.00 0.00 C ATOM 1467 CG1 ILE A 97 0.533 15.350 4.888 1.00 0.00 C ATOM 1468 CG2 ILE A 97 1.695 14.024 6.666 1.00 0.00 C ATOM 1469 CD1 ILE A 97 1.449 15.755 3.746 1.00 0.00 C ATOM 0 H ILE A 97 2.697 13.898 3.116 1.00 0.00 H new ATOM 0 HA ILE A 97 1.424 11.978 4.866 1.00 0.00 H new ATOM 0 HB ILE A 97 -0.204 13.558 5.777 1.00 0.00 H new ATOM 0 HG12 ILE A 97 -0.498 15.414 4.542 1.00 0.00 H new ATOM 0 HG13 ILE A 97 0.644 16.076 5.693 1.00 0.00 H new ATOM 0 HG21 ILE A 97 1.284 14.717 7.400 1.00 0.00 H new ATOM 0 HG22 ILE A 97 1.792 13.036 7.115 1.00 0.00 H new ATOM 0 HG23 ILE A 97 2.676 14.375 6.345 1.00 0.00 H new ATOM 0 HD11 ILE A 97 1.196 16.763 3.417 1.00 0.00 H new ATOM 0 HD12 ILE A 97 2.485 15.733 4.085 1.00 0.00 H new ATOM 0 HD13 ILE A 97 1.324 15.060 2.915 1.00 0.00 H new ATOM 1481 N PRO A 98 -0.294 11.655 3.163 1.00 0.00 N ATOM 1482 CA PRO A 98 0.139 10.230 3.272 1.00 0.00 C ATOM 1483 C PRO A 98 0.703 9.729 1.950 1.00 0.00 C ATOM 1484 O PRO A 98 0.360 10.255 0.888 1.00 0.00 O ATOM 1485 CB PRO A 98 -1.131 9.482 3.616 1.00 0.00 C ATOM 1486 CG PRO A 98 -1.574 10.325 4.692 1.00 0.00 C ATOM 1487 CD PRO A 98 -0.504 11.373 4.658 1.00 0.00 C ATOM 0 HA PRO A 98 0.926 10.094 4.013 1.00 0.00 H new ATOM 0 HB2 PRO A 98 -1.839 9.442 2.788 1.00 0.00 H new ATOM 0 HB3 PRO A 98 -0.948 8.454 3.929 1.00 0.00 H new ATOM 0 HG2 PRO A 98 -2.567 10.738 4.516 1.00 0.00 H new ATOM 0 HG3 PRO A 98 -1.612 9.798 5.646 1.00 0.00 H new ATOM 0 HD2 PRO A 98 -0.811 12.272 5.193 1.00 0.00 H new ATOM 0 HD3 PRO A 98 0.414 11.020 5.129 1.00 0.00 H new ATOM 1495 N ARG A 99 1.579 8.728 2.028 1.00 0.00 N ATOM 1496 CA ARG A 99 2.222 8.165 0.846 1.00 0.00 C ATOM 1497 C ARG A 99 1.886 6.685 0.668 1.00 0.00 C ATOM 1498 O ARG A 99 0.998 6.152 1.333 1.00 0.00 O ATOM 1499 CB ARG A 99 3.734 8.352 0.952 1.00 0.00 C ATOM 1500 CG ARG A 99 4.267 9.502 0.116 1.00 0.00 C ATOM 1501 CD ARG A 99 3.538 10.805 0.415 1.00 0.00 C ATOM 1502 NE ARG A 99 2.760 11.272 -0.729 1.00 0.00 N ATOM 1503 CZ ARG A 99 2.178 12.467 -0.789 1.00 0.00 C ATOM 1504 NH1 ARG A 99 2.279 13.314 0.228 1.00 0.00 N ATOM 1505 NH2 ARG A 99 1.492 12.819 -1.869 1.00 0.00 N ATOM 0 H ARG A 99 1.860 8.289 2.905 1.00 0.00 H new ATOM 0 HA ARG A 99 1.844 8.693 -0.030 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.998 8.521 1.996 1.00 0.00 H new ATOM 0 HB3 ARG A 99 4.228 7.431 0.643 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.332 9.629 0.310 1.00 0.00 H new ATOM 0 HG3 ARG A 99 4.162 9.261 -0.942 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.876 10.662 1.269 1.00 0.00 H new ATOM 0 HD3 ARG A 99 4.262 11.569 0.697 1.00 0.00 H new ATOM 0 HE ARG A 99 2.657 10.646 -1.528 1.00 0.00 H new ATOM 0 HH11 ARG A 99 2.805 13.050 1.061 1.00 0.00 H new ATOM 0 HH12 ARG A 99 1.831 14.229 0.176 1.00 0.00 H new ATOM 0 HH21 ARG A 99 1.410 12.173 -2.654 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.046 13.735 -1.914 1.00 0.00 H new ATOM 1519 N ILE A 100 2.602 6.032 -0.248 1.00 0.00 N ATOM 1520 CA ILE A 100 2.383 4.617 -0.535 1.00 0.00 C ATOM 1521 C ILE A 100 3.280 3.727 0.324 1.00 0.00 C ATOM 1522 O ILE A 100 4.281 4.186 0.874 1.00 0.00 O ATOM 1523 CB ILE A 100 2.626 4.310 -2.028 1.00 0.00 C ATOM 1524 CG1 ILE A 100 2.395 2.829 -2.323 1.00 0.00 C ATOM 1525 CG2 ILE A 100 4.030 4.719 -2.433 1.00 0.00 C ATOM 1526 CD1 ILE A 100 2.307 2.511 -3.799 1.00 0.00 C ATOM 0 H ILE A 100 3.340 6.463 -0.804 1.00 0.00 H new ATOM 0 HA ILE A 100 1.343 4.399 -0.292 1.00 0.00 H new ATOM 0 HB ILE A 100 1.913 4.889 -2.615 1.00 0.00 H new ATOM 0 HG12 ILE A 100 3.206 2.249 -1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 100 1.474 2.510 -1.836 1.00 0.00 H new ATOM 0 HG21 ILE A 100 4.184 4.495 -3.489 1.00 0.00 H new ATOM 0 HG22 ILE A 100 4.160 5.788 -2.266 1.00 0.00 H new ATOM 0 HG23 ILE A 100 4.756 4.168 -1.836 1.00 0.00 H new ATOM 0 HD11 ILE A 100 2.142 1.442 -3.932 1.00 0.00 H new ATOM 0 HD12 ILE A 100 1.478 3.063 -4.241 1.00 0.00 H new ATOM 0 HD13 ILE A 100 3.237 2.798 -4.289 1.00 0.00 H new ATOM 1538 N LEU A 101 2.902 2.454 0.451 1.00 0.00 N ATOM 1539 CA LEU A 101 3.666 1.510 1.266 1.00 0.00 C ATOM 1540 C LEU A 101 3.031 0.118 1.258 1.00 0.00 C ATOM 1541 O LEU A 101 1.811 -0.017 1.154 1.00 0.00 O ATOM 1542 CB LEU A 101 3.752 2.025 2.700 1.00 0.00 C ATOM 1543 CG LEU A 101 2.576 2.887 3.152 1.00 0.00 C ATOM 1544 CD1 LEU A 101 1.980 2.331 4.422 1.00 0.00 C ATOM 1545 CD2 LEU A 101 3.023 4.323 3.368 1.00 0.00 C ATOM 0 H LEU A 101 2.077 2.055 0.003 1.00 0.00 H new ATOM 0 HA LEU A 101 4.665 1.427 0.838 1.00 0.00 H new ATOM 0 HB2 LEU A 101 3.835 1.171 3.372 1.00 0.00 H new ATOM 0 HB3 LEU A 101 4.669 2.605 2.807 1.00 0.00 H new ATOM 0 HG LEU A 101 1.816 2.873 2.371 1.00 0.00 H new ATOM 0 HD11 LEU A 101 1.142 2.955 4.734 1.00 0.00 H new ATOM 0 HD12 LEU A 101 1.629 1.314 4.245 1.00 0.00 H new ATOM 0 HD13 LEU A 101 2.737 2.322 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 101 2.173 4.924 3.690 1.00 0.00 H new ATOM 0 HD22 LEU A 101 3.798 4.351 4.134 1.00 0.00 H new ATOM 0 HD23 LEU A 101 3.419 4.725 2.435 1.00 0.00 H new ATOM 1557 N PHE A 102 3.864 -0.919 1.376 1.00 0.00 N ATOM 1558 CA PHE A 102 3.368 -2.297 1.389 1.00 0.00 C ATOM 1559 C PHE A 102 3.337 -2.851 2.815 1.00 0.00 C ATOM 1560 O PHE A 102 4.223 -2.564 3.623 1.00 0.00 O ATOM 1561 CB PHE A 102 4.240 -3.188 0.506 1.00 0.00 C ATOM 1562 CG PHE A 102 4.235 -2.795 -0.944 1.00 0.00 C ATOM 1563 CD1 PHE A 102 4.717 -1.560 -1.343 1.00 0.00 C ATOM 1564 CD2 PHE A 102 3.748 -3.665 -1.907 1.00 0.00 C ATOM 1565 CE1 PHE A 102 4.715 -1.198 -2.677 1.00 0.00 C ATOM 1566 CE2 PHE A 102 3.745 -3.309 -3.243 1.00 0.00 C ATOM 1567 CZ PHE A 102 4.229 -2.074 -3.628 1.00 0.00 C ATOM 0 H PHE A 102 4.877 -0.832 1.463 1.00 0.00 H new ATOM 0 HA PHE A 102 2.352 -2.292 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 102 5.265 -3.160 0.877 1.00 0.00 H new ATOM 0 HB3 PHE A 102 3.897 -4.219 0.595 1.00 0.00 H new ATOM 0 HD1 PHE A 102 5.099 -0.872 -0.604 1.00 0.00 H new ATOM 0 HD2 PHE A 102 3.367 -4.631 -1.611 1.00 0.00 H new ATOM 0 HE1 PHE A 102 5.093 -0.231 -2.975 1.00 0.00 H new ATOM 0 HE2 PHE A 102 3.365 -3.996 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 102 4.227 -1.794 -4.671 1.00 0.00 H new ATOM 1577 N LEU A 103 2.311 -3.646 3.123 1.00 0.00 N ATOM 1578 CA LEU A 103 2.176 -4.230 4.457 1.00 0.00 C ATOM 1579 C LEU A 103 1.986 -5.739 4.400 1.00 0.00 C ATOM 1580 O LEU A 103 1.777 -6.315 3.332 1.00 0.00 O ATOM 1581 CB LEU A 103 0.990 -3.623 5.222 1.00 0.00 C ATOM 1582 CG LEU A 103 0.263 -2.463 4.545 1.00 0.00 C ATOM 1583 CD1 LEU A 103 -0.881 -1.978 5.422 1.00 0.00 C ATOM 1584 CD2 LEU A 103 1.223 -1.327 4.237 1.00 0.00 C ATOM 0 H LEU A 103 1.567 -3.898 2.472 1.00 0.00 H new ATOM 0 HA LEU A 103 3.105 -4.002 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.266 -4.415 5.412 1.00 0.00 H new ATOM 0 HB3 LEU A 103 1.350 -3.280 6.192 1.00 0.00 H new ATOM 0 HG LEU A 103 -0.148 -2.818 3.600 1.00 0.00 H new ATOM 0 HD11 LEU A 103 -1.392 -1.151 4.929 1.00 0.00 H new ATOM 0 HD12 LEU A 103 -1.585 -2.794 5.586 1.00 0.00 H new ATOM 0 HD13 LEU A 103 -0.487 -1.641 6.381 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.681 -0.513 3.755 1.00 0.00 H new ATOM 0 HD22 LEU A 103 1.670 -0.967 5.164 1.00 0.00 H new ATOM 0 HD23 LEU A 103 2.008 -1.685 3.571 1.00 0.00 H new ATOM 1596 N ASP A 104 2.032 -6.362 5.574 1.00 0.00 N ATOM 1597 CA ASP A 104 1.837 -7.798 5.688 1.00 0.00 C ATOM 1598 C ASP A 104 0.345 -8.107 5.757 1.00 0.00 C ATOM 1599 O ASP A 104 -0.431 -7.311 6.299 1.00 0.00 O ATOM 1600 CB ASP A 104 2.546 -8.339 6.930 1.00 0.00 C ATOM 1601 CG ASP A 104 2.054 -7.688 8.208 1.00 0.00 C ATOM 1602 OD1 ASP A 104 0.927 -8.011 8.643 1.00 0.00 O ATOM 1603 OD2 ASP A 104 2.792 -6.854 8.773 1.00 0.00 O ATOM 0 H ASP A 104 2.204 -5.890 6.462 1.00 0.00 H new ATOM 0 HA ASP A 104 2.265 -8.284 4.811 1.00 0.00 H new ATOM 0 HB2 ASP A 104 2.392 -9.416 6.992 1.00 0.00 H new ATOM 0 HB3 ASP A 104 3.619 -8.175 6.832 1.00 0.00 H new ATOM 1608 N PRO A 105 -0.077 -9.262 5.201 1.00 0.00 N ATOM 1609 CA PRO A 105 -1.485 -9.674 5.188 1.00 0.00 C ATOM 1610 C PRO A 105 -2.180 -9.443 6.523 1.00 0.00 C ATOM 1611 O PRO A 105 -2.182 -10.312 7.395 1.00 0.00 O ATOM 1612 CB PRO A 105 -1.410 -11.164 4.870 1.00 0.00 C ATOM 1613 CG PRO A 105 -0.173 -11.311 4.050 1.00 0.00 C ATOM 1614 CD PRO A 105 0.790 -10.254 4.534 1.00 0.00 C ATOM 0 HA PRO A 105 -2.070 -9.098 4.471 1.00 0.00 H new ATOM 0 HB2 PRO A 105 -1.356 -11.761 5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 105 -2.291 -11.497 4.322 1.00 0.00 H new ATOM 0 HG2 PRO A 105 0.254 -12.307 4.167 1.00 0.00 H new ATOM 0 HG3 PRO A 105 -0.392 -11.180 2.990 1.00 0.00 H new ATOM 0 HD2 PRO A 105 1.526 -10.669 5.223 1.00 0.00 H new ATOM 0 HD3 PRO A 105 1.343 -9.809 3.707 1.00 0.00 H new ATOM 1622 N SER A 106 -2.765 -8.257 6.665 1.00 0.00 N ATOM 1623 CA SER A 106 -3.476 -7.863 7.882 1.00 0.00 C ATOM 1624 C SER A 106 -3.561 -6.343 7.961 1.00 0.00 C ATOM 1625 O SER A 106 -4.493 -5.789 8.545 1.00 0.00 O ATOM 1626 CB SER A 106 -2.778 -8.406 9.135 1.00 0.00 C ATOM 1627 OG SER A 106 -3.180 -7.694 10.292 1.00 0.00 O ATOM 0 H SER A 106 -2.761 -7.540 5.940 1.00 0.00 H new ATOM 0 HA SER A 106 -4.479 -8.287 7.840 1.00 0.00 H new ATOM 0 HB2 SER A 106 -3.012 -9.464 9.256 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.697 -8.330 9.015 1.00 0.00 H new ATOM 0 HG SER A 106 -2.722 -8.060 11.077 1.00 0.00 H new ATOM 1633 N GLY A 107 -2.574 -5.677 7.366 1.00 0.00 N ATOM 1634 CA GLY A 107 -2.543 -4.229 7.374 1.00 0.00 C ATOM 1635 C GLY A 107 -1.470 -3.690 8.295 1.00 0.00 C ATOM 1636 O GLY A 107 -1.685 -2.698 8.994 1.00 0.00 O ATOM 0 H GLY A 107 -1.795 -6.118 6.878 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -2.368 -3.865 6.362 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -3.515 -3.847 7.687 1.00 0.00 H new ATOM 1640 N LYS A 108 -0.310 -4.343 8.305 1.00 0.00 N ATOM 1641 CA LYS A 108 0.791 -3.910 9.165 1.00 0.00 C ATOM 1642 C LYS A 108 2.032 -3.541 8.355 1.00 0.00 C ATOM 1643 O LYS A 108 2.972 -4.329 8.253 1.00 0.00 O ATOM 1644 CB LYS A 108 1.133 -5.008 10.175 1.00 0.00 C ATOM 1645 CG LYS A 108 0.657 -4.701 11.586 1.00 0.00 C ATOM 1646 CD LYS A 108 1.796 -4.783 12.590 1.00 0.00 C ATOM 1647 CE LYS A 108 1.377 -4.246 13.950 1.00 0.00 C ATOM 1648 NZ LYS A 108 0.302 -5.069 14.569 1.00 0.00 N ATOM 0 H LYS A 108 -0.108 -5.164 7.735 1.00 0.00 H new ATOM 0 HA LYS A 108 0.463 -3.016 9.696 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.687 -5.946 9.845 1.00 0.00 H new ATOM 0 HB3 LYS A 108 2.213 -5.156 10.188 1.00 0.00 H new ATOM 0 HG2 LYS A 108 0.218 -3.704 11.614 1.00 0.00 H new ATOM 0 HG3 LYS A 108 -0.128 -5.403 11.867 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.121 -5.819 12.690 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.650 -4.216 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.242 -4.223 14.612 1.00 0.00 H new ATOM 0 HE3 LYS A 108 1.030 -3.218 13.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 0.070 -4.688 15.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 -0.545 -5.043 13.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 0.629 -6.052 14.665 1.00 0.00 H new ATOM 1662 N VAL A 109 2.028 -2.338 7.775 1.00 0.00 N ATOM 1663 CA VAL A 109 3.156 -1.872 6.970 1.00 0.00 C ATOM 1664 C VAL A 109 4.481 -2.088 7.671 1.00 0.00 C ATOM 1665 O VAL A 109 4.612 -1.881 8.878 1.00 0.00 O ATOM 1666 CB VAL A 109 3.038 -0.374 6.609 1.00 0.00 C ATOM 1667 CG1 VAL A 109 3.360 0.506 7.806 1.00 0.00 C ATOM 1668 CG2 VAL A 109 3.961 -0.034 5.452 1.00 0.00 C ATOM 0 H VAL A 109 1.259 -1.672 7.848 1.00 0.00 H new ATOM 0 HA VAL A 109 3.124 -2.467 6.057 1.00 0.00 H new ATOM 0 HB VAL A 109 2.007 -0.182 6.311 1.00 0.00 H new ATOM 0 HG11 VAL A 109 3.269 1.554 7.522 1.00 0.00 H new ATOM 0 HG12 VAL A 109 2.664 0.288 8.616 1.00 0.00 H new ATOM 0 HG13 VAL A 109 4.379 0.308 8.140 1.00 0.00 H new ATOM 0 HG21 VAL A 109 3.866 1.025 5.210 1.00 0.00 H new ATOM 0 HG22 VAL A 109 4.992 -0.251 5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 109 3.689 -0.631 4.582 1.00 0.00 H new ATOM 1678 N HIS A 110 5.466 -2.471 6.886 1.00 0.00 N ATOM 1679 CA HIS A 110 6.804 -2.681 7.388 1.00 0.00 C ATOM 1680 C HIS A 110 7.731 -1.680 6.718 1.00 0.00 C ATOM 1681 O HIS A 110 7.737 -1.576 5.493 1.00 0.00 O ATOM 1682 CB HIS A 110 7.271 -4.111 7.106 1.00 0.00 C ATOM 1683 CG HIS A 110 7.105 -5.034 8.274 1.00 0.00 C ATOM 1684 ND1 HIS A 110 5.962 -5.773 8.494 1.00 0.00 N ATOM 1685 CD2 HIS A 110 7.946 -5.335 9.292 1.00 0.00 C ATOM 1686 CE1 HIS A 110 6.108 -6.487 9.596 1.00 0.00 C ATOM 1687 NE2 HIS A 110 7.303 -6.241 10.099 1.00 0.00 N ATOM 0 H HIS A 110 5.361 -2.644 5.886 1.00 0.00 H new ATOM 0 HA HIS A 110 6.817 -2.536 8.468 1.00 0.00 H new ATOM 0 HB2 HIS A 110 6.712 -4.507 6.258 1.00 0.00 H new ATOM 0 HB3 HIS A 110 8.321 -4.091 6.815 1.00 0.00 H new ATOM 0 HD2 HIS A 110 8.939 -4.936 9.441 1.00 0.00 H new ATOM 0 HE1 HIS A 110 5.373 -7.159 10.015 1.00 0.00 H new ATOM 0 HE2 HIS A 110 7.686 -6.656 10.948 1.00 0.00 H new ATOM 1696 N PRO A 111 8.507 -0.913 7.499 1.00 0.00 N ATOM 1697 CA PRO A 111 9.424 0.094 6.951 1.00 0.00 C ATOM 1698 C PRO A 111 10.524 -0.532 6.101 1.00 0.00 C ATOM 1699 O PRO A 111 11.686 -0.127 6.172 1.00 0.00 O ATOM 1700 CB PRO A 111 10.018 0.763 8.197 1.00 0.00 C ATOM 1701 CG PRO A 111 9.801 -0.211 9.302 1.00 0.00 C ATOM 1702 CD PRO A 111 8.541 -0.952 8.967 1.00 0.00 C ATOM 0 HA PRO A 111 8.913 0.792 6.288 1.00 0.00 H new ATOM 0 HB2 PRO A 111 11.078 0.976 8.062 1.00 0.00 H new ATOM 0 HB3 PRO A 111 9.526 1.713 8.407 1.00 0.00 H new ATOM 0 HG2 PRO A 111 10.644 -0.896 9.388 1.00 0.00 H new ATOM 0 HG3 PRO A 111 9.708 0.301 10.260 1.00 0.00 H new ATOM 0 HD2 PRO A 111 8.564 -1.975 9.342 1.00 0.00 H new ATOM 0 HD3 PRO A 111 7.664 -0.473 9.403 1.00 0.00 H new ATOM 1710 N GLU A 112 10.150 -1.521 5.295 1.00 0.00 N ATOM 1711 CA GLU A 112 11.097 -2.210 4.428 1.00 0.00 C ATOM 1712 C GLU A 112 10.648 -2.140 2.971 1.00 0.00 C ATOM 1713 O GLU A 112 11.324 -1.543 2.133 1.00 0.00 O ATOM 1714 CB GLU A 112 11.247 -3.670 4.859 1.00 0.00 C ATOM 1715 CG GLU A 112 12.401 -4.391 4.182 1.00 0.00 C ATOM 1716 CD GLU A 112 12.025 -5.780 3.707 1.00 0.00 C ATOM 1717 OE1 GLU A 112 11.444 -6.543 4.506 1.00 0.00 O ATOM 1718 OE2 GLU A 112 12.312 -6.104 2.535 1.00 0.00 O ATOM 0 H GLU A 112 9.192 -1.864 5.225 1.00 0.00 H new ATOM 0 HA GLU A 112 12.063 -1.713 4.517 1.00 0.00 H new ATOM 0 HB2 GLU A 112 11.390 -3.708 5.939 1.00 0.00 H new ATOM 0 HB3 GLU A 112 10.320 -4.201 4.641 1.00 0.00 H new ATOM 0 HG2 GLU A 112 12.744 -3.801 3.332 1.00 0.00 H new ATOM 0 HG3 GLU A 112 13.237 -4.463 4.878 1.00 0.00 H new ATOM 1725 N ILE A 113 9.502 -2.749 2.676 1.00 0.00 N ATOM 1726 CA ILE A 113 8.966 -2.746 1.319 1.00 0.00 C ATOM 1727 C ILE A 113 8.564 -1.335 0.900 1.00 0.00 C ATOM 1728 O ILE A 113 7.381 -0.969 0.941 1.00 0.00 O ATOM 1729 CB ILE A 113 7.753 -3.685 1.186 1.00 0.00 C ATOM 1730 CG1 ILE A 113 8.074 -5.061 1.774 1.00 0.00 C ATOM 1731 CG2 ILE A 113 7.342 -3.811 -0.274 1.00 0.00 C ATOM 1732 CD1 ILE A 113 9.289 -5.714 1.153 1.00 0.00 C ATOM 0 H ILE A 113 8.929 -3.249 3.356 1.00 0.00 H new ATOM 0 HA ILE A 113 9.756 -3.108 0.661 1.00 0.00 H new ATOM 0 HB ILE A 113 6.920 -3.259 1.745 1.00 0.00 H new ATOM 0 HG12 ILE A 113 8.234 -4.960 2.847 1.00 0.00 H new ATOM 0 HG13 ILE A 113 7.212 -5.715 1.640 1.00 0.00 H new ATOM 0 HG21 ILE A 113 6.483 -4.478 -0.354 1.00 0.00 H new ATOM 0 HG22 ILE A 113 7.076 -2.828 -0.663 1.00 0.00 H new ATOM 0 HG23 ILE A 113 8.172 -4.218 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 113 9.457 -6.686 1.618 1.00 0.00 H new ATOM 0 HD12 ILE A 113 9.124 -5.847 0.084 1.00 0.00 H new ATOM 0 HD13 ILE A 113 10.162 -5.081 1.310 1.00 0.00 H new ATOM 1744 N ILE A 114 9.568 -0.548 0.516 1.00 0.00 N ATOM 1745 CA ILE A 114 9.361 0.831 0.102 1.00 0.00 C ATOM 1746 C ILE A 114 9.784 1.044 -1.353 1.00 0.00 C ATOM 1747 O ILE A 114 9.977 0.086 -2.100 1.00 0.00 O ATOM 1748 CB ILE A 114 10.162 1.783 1.016 1.00 0.00 C ATOM 1749 CG1 ILE A 114 11.670 1.634 0.740 1.00 0.00 C ATOM 1750 CG2 ILE A 114 9.831 1.497 2.480 1.00 0.00 C ATOM 1751 CD1 ILE A 114 12.560 1.862 1.946 1.00 0.00 C ATOM 0 H ILE A 114 10.542 -0.850 0.485 1.00 0.00 H new ATOM 0 HA ILE A 114 8.296 1.049 0.186 1.00 0.00 H new ATOM 0 HB ILE A 114 9.883 2.815 0.802 1.00 0.00 H new ATOM 0 HG12 ILE A 114 11.857 0.633 0.351 1.00 0.00 H new ATOM 0 HG13 ILE A 114 11.954 2.338 -0.042 1.00 0.00 H new ATOM 0 HG21 ILE A 114 10.399 2.172 3.120 1.00 0.00 H new ATOM 0 HG22 ILE A 114 8.765 1.649 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 114 10.092 0.466 2.717 1.00 0.00 H new ATOM 0 HD11 ILE A 114 13.603 1.736 1.657 1.00 0.00 H new ATOM 0 HD12 ILE A 114 12.408 2.873 2.325 1.00 0.00 H new ATOM 0 HD13 ILE A 114 12.310 1.141 2.724 1.00 0.00 H new ATOM 1763 N ASN A 115 9.935 2.310 -1.746 1.00 0.00 N ATOM 1764 CA ASN A 115 10.342 2.652 -3.106 1.00 0.00 C ATOM 1765 C ASN A 115 11.725 2.087 -3.412 1.00 0.00 C ATOM 1766 O ASN A 115 11.906 1.328 -4.364 1.00 0.00 O ATOM 1767 CB ASN A 115 10.340 4.177 -3.286 1.00 0.00 C ATOM 1768 CG ASN A 115 10.840 4.615 -4.653 1.00 0.00 C ATOM 1769 OD1 ASN A 115 11.593 3.902 -5.314 1.00 0.00 O ATOM 1770 ND2 ASN A 115 10.415 5.799 -5.088 1.00 0.00 N ATOM 0 H ASN A 115 9.781 3.115 -1.139 1.00 0.00 H new ATOM 0 HA ASN A 115 9.630 2.211 -3.803 1.00 0.00 H new ATOM 0 HB2 ASN A 115 9.328 4.553 -3.138 1.00 0.00 H new ATOM 0 HB3 ASN A 115 10.964 4.629 -2.515 1.00 0.00 H new ATOM 0 HD21 ASN A 115 10.714 6.145 -6.000 1.00 0.00 H new ATOM 0 HD22 ASN A 115 9.791 6.361 -4.509 1.00 0.00 H new ATOM 1777 N GLU A 116 12.698 2.469 -2.593 1.00 0.00 N ATOM 1778 CA GLU A 116 14.078 2.015 -2.755 1.00 0.00 C ATOM 1779 C GLU A 116 14.737 2.678 -3.962 1.00 0.00 C ATOM 1780 O GLU A 116 15.715 3.413 -3.822 1.00 0.00 O ATOM 1781 CB GLU A 116 14.129 0.490 -2.897 1.00 0.00 C ATOM 1782 CG GLU A 116 14.876 -0.198 -1.765 1.00 0.00 C ATOM 1783 CD GLU A 116 16.365 0.087 -1.791 1.00 0.00 C ATOM 1784 OE1 GLU A 116 16.747 1.264 -1.618 1.00 0.00 O ATOM 1785 OE2 GLU A 116 17.150 -0.865 -1.983 1.00 0.00 O ATOM 0 H GLU A 116 12.556 3.098 -1.802 1.00 0.00 H new ATOM 0 HA GLU A 116 14.632 2.304 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 116 13.111 0.102 -2.939 1.00 0.00 H new ATOM 0 HB3 GLU A 116 14.606 0.237 -3.844 1.00 0.00 H new ATOM 0 HG2 GLU A 116 14.464 0.130 -0.811 1.00 0.00 H new ATOM 0 HG3 GLU A 116 14.715 -1.274 -1.829 1.00 0.00 H new ATOM 1792 N ASN A 117 14.199 2.412 -5.148 1.00 0.00 N ATOM 1793 CA ASN A 117 14.738 2.978 -6.380 1.00 0.00 C ATOM 1794 C ASN A 117 14.714 4.507 -6.350 1.00 0.00 C ATOM 1795 O ASN A 117 15.444 5.160 -7.095 1.00 0.00 O ATOM 1796 CB ASN A 117 13.943 2.469 -7.584 1.00 0.00 C ATOM 1797 CG ASN A 117 14.829 1.814 -8.626 1.00 0.00 C ATOM 1798 OD1 ASN A 117 15.315 0.615 -8.320 1.00 0.00 O flip ATOM 1799 ND2 ASN A 117 15.074 2.376 -9.693 1.00 0.00 N flip ATOM 0 H ASN A 117 13.389 1.807 -5.282 1.00 0.00 H new ATOM 0 HA ASN A 117 15.776 2.658 -6.468 1.00 0.00 H new ATOM 0 HB2 ASN A 117 13.194 1.753 -7.245 1.00 0.00 H new ATOM 0 HB3 ASN A 117 13.405 3.301 -8.039 1.00 0.00 H new ATOM 0 HD21 ASN A 117 14.680 3.297 -9.887 1.00 0.00 H new ATOM 0 HD22 ASN A 117 15.671 1.921 -10.384 1.00 0.00 H new ATOM 1806 N GLY A 118 13.870 5.072 -5.492 1.00 0.00 N ATOM 1807 CA GLY A 118 13.770 6.518 -5.394 1.00 0.00 C ATOM 1808 C GLY A 118 14.795 7.112 -4.448 1.00 0.00 C ATOM 1809 O GLY A 118 15.696 6.418 -3.979 1.00 0.00 O ATOM 0 H GLY A 118 13.254 4.556 -4.864 1.00 0.00 H new ATOM 0 HA2 GLY A 118 13.899 6.955 -6.384 1.00 0.00 H new ATOM 0 HA3 GLY A 118 12.770 6.787 -5.055 1.00 0.00 H new ATOM 1813 N ASN A 119 14.655 8.407 -4.170 1.00 0.00 N ATOM 1814 CA ASN A 119 15.573 9.106 -3.275 1.00 0.00 C ATOM 1815 C ASN A 119 15.695 8.379 -1.934 1.00 0.00 C ATOM 1816 O ASN A 119 14.688 8.015 -1.328 1.00 0.00 O ATOM 1817 CB ASN A 119 15.108 10.546 -3.044 1.00 0.00 C ATOM 1818 CG ASN A 119 13.600 10.661 -2.918 1.00 0.00 C ATOM 1819 OD1 ASN A 119 12.900 9.661 -2.752 1.00 0.00 O ATOM 1820 ND2 ASN A 119 13.097 11.883 -3.002 1.00 0.00 N ATOM 0 H ASN A 119 13.913 8.993 -4.553 1.00 0.00 H new ATOM 0 HA ASN A 119 16.553 9.121 -3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 119 15.575 10.933 -2.138 1.00 0.00 H new ATOM 0 HB3 ASN A 119 15.448 11.170 -3.870 1.00 0.00 H new ATOM 0 HD21 ASN A 119 12.090 12.026 -2.929 1.00 0.00 H new ATOM 0 HD22 ASN A 119 13.717 12.681 -3.140 1.00 0.00 H new ATOM 1827 N PRO A 120 16.936 8.149 -1.454 1.00 0.00 N ATOM 1828 CA PRO A 120 17.181 7.455 -0.186 1.00 0.00 C ATOM 1829 C PRO A 120 16.836 8.310 1.034 1.00 0.00 C ATOM 1830 O PRO A 120 17.708 8.653 1.832 1.00 0.00 O ATOM 1831 CB PRO A 120 18.690 7.148 -0.213 1.00 0.00 C ATOM 1832 CG PRO A 120 19.152 7.495 -1.591 1.00 0.00 C ATOM 1833 CD PRO A 120 18.197 8.531 -2.105 1.00 0.00 C ATOM 0 HA PRO A 120 16.555 6.567 -0.096 1.00 0.00 H new ATOM 0 HB2 PRO A 120 19.222 7.734 0.537 1.00 0.00 H new ATOM 0 HB3 PRO A 120 18.879 6.098 0.010 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.172 7.880 -1.574 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.154 6.615 -2.234 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.506 9.540 -1.831 1.00 0.00 H new ATOM 0 HD3 PRO A 120 18.117 8.506 -3.192 1.00 0.00 H new ATOM 1841 N SER A 121 15.558 8.646 1.179 1.00 0.00 N ATOM 1842 CA SER A 121 15.103 9.453 2.305 1.00 0.00 C ATOM 1843 C SER A 121 13.589 9.472 2.334 1.00 0.00 C ATOM 1844 O SER A 121 12.963 9.422 3.393 1.00 0.00 O ATOM 1845 CB SER A 121 15.636 10.882 2.192 1.00 0.00 C ATOM 1846 OG SER A 121 16.964 10.974 2.677 1.00 0.00 O ATOM 0 H SER A 121 14.820 8.372 0.531 1.00 0.00 H new ATOM 0 HA SER A 121 15.482 9.014 3.228 1.00 0.00 H new ATOM 0 HB2 SER A 121 15.603 11.204 1.151 1.00 0.00 H new ATOM 0 HB3 SER A 121 14.993 11.558 2.755 1.00 0.00 H new ATOM 0 HG SER A 121 17.371 10.082 2.688 1.00 0.00 H new ATOM 1852 N TYR A 122 13.018 9.545 1.147 1.00 0.00 N ATOM 1853 CA TYR A 122 11.585 9.572 0.969 1.00 0.00 C ATOM 1854 C TYR A 122 11.017 8.155 0.948 1.00 0.00 C ATOM 1855 O TYR A 122 10.072 7.837 1.667 1.00 0.00 O ATOM 1856 CB TYR A 122 11.280 10.293 -0.334 1.00 0.00 C ATOM 1857 CG TYR A 122 10.577 11.617 -0.150 1.00 0.00 C ATOM 1858 CD1 TYR A 122 9.326 11.694 0.449 1.00 0.00 C ATOM 1859 CD2 TYR A 122 11.175 12.798 -0.571 1.00 0.00 C ATOM 1860 CE1 TYR A 122 8.690 12.909 0.618 1.00 0.00 C ATOM 1861 CE2 TYR A 122 10.547 14.016 -0.404 1.00 0.00 C ATOM 1862 CZ TYR A 122 9.305 14.066 0.191 1.00 0.00 C ATOM 1863 OH TYR A 122 8.675 15.279 0.359 1.00 0.00 O ATOM 0 H TYR A 122 13.543 9.587 0.274 1.00 0.00 H new ATOM 0 HA TYR A 122 11.118 10.098 1.802 1.00 0.00 H new ATOM 0 HB2 TYR A 122 12.213 10.460 -0.873 1.00 0.00 H new ATOM 0 HB3 TYR A 122 10.662 9.648 -0.959 1.00 0.00 H new ATOM 0 HD1 TYR A 122 8.843 10.790 0.788 1.00 0.00 H new ATOM 0 HD2 TYR A 122 12.149 12.763 -1.037 1.00 0.00 H new ATOM 0 HE1 TYR A 122 7.716 12.952 1.082 1.00 0.00 H new ATOM 0 HE2 TYR A 122 11.026 14.924 -0.738 1.00 0.00 H new ATOM 0 HH TYR A 122 9.243 15.995 0.005 1.00 0.00 H new ATOM 1873 N LYS A 123 11.616 7.306 0.122 1.00 0.00 N ATOM 1874 CA LYS A 123 11.191 5.913 0.005 1.00 0.00 C ATOM 1875 C LYS A 123 9.695 5.797 -0.325 1.00 0.00 C ATOM 1876 O LYS A 123 9.299 5.920 -1.483 1.00 0.00 O ATOM 1877 CB LYS A 123 11.518 5.159 1.302 1.00 0.00 C ATOM 1878 CG LYS A 123 13.003 4.914 1.522 1.00 0.00 C ATOM 1879 CD LYS A 123 13.664 4.322 0.287 1.00 0.00 C ATOM 1880 CE LYS A 123 14.458 5.366 -0.480 1.00 0.00 C ATOM 1881 NZ LYS A 123 13.904 5.603 -1.843 1.00 0.00 N ATOM 0 H LYS A 123 12.401 7.557 -0.480 1.00 0.00 H new ATOM 0 HA LYS A 123 11.739 5.462 -0.823 1.00 0.00 H new ATOM 0 HB2 LYS A 123 11.125 5.725 2.147 1.00 0.00 H new ATOM 0 HB3 LYS A 123 11.000 4.200 1.292 1.00 0.00 H new ATOM 0 HG2 LYS A 123 13.492 5.853 1.782 1.00 0.00 H new ATOM 0 HG3 LYS A 123 13.139 4.239 2.367 1.00 0.00 H new ATOM 0 HD2 LYS A 123 14.325 3.507 0.583 1.00 0.00 H new ATOM 0 HD3 LYS A 123 12.902 3.894 -0.364 1.00 0.00 H new ATOM 0 HE2 LYS A 123 14.459 6.302 0.078 1.00 0.00 H new ATOM 0 HE3 LYS A 123 15.496 5.043 -0.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 123 14.604 5.316 -2.557 1.00 0.00 H new ATOM 0 HZ2 LYS A 123 13.035 5.045 -1.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 123 13.686 6.613 -1.958 1.00 0.00 H new ATOM 1895 N TYR A 124 8.872 5.555 0.699 1.00 0.00 N ATOM 1896 CA TYR A 124 7.422 5.409 0.536 1.00 0.00 C ATOM 1897 C TYR A 124 6.829 6.427 -0.437 1.00 0.00 C ATOM 1898 O TYR A 124 5.773 6.187 -1.020 1.00 0.00 O ATOM 1899 CB TYR A 124 6.748 5.506 1.895 1.00 0.00 C ATOM 1900 CG TYR A 124 6.942 4.249 2.703 1.00 0.00 C ATOM 1901 CD1 TYR A 124 6.712 3.005 2.133 1.00 0.00 C ATOM 1902 CD2 TYR A 124 7.363 4.300 4.021 1.00 0.00 C ATOM 1903 CE1 TYR A 124 6.891 1.847 2.856 1.00 0.00 C ATOM 1904 CE2 TYR A 124 7.547 3.144 4.753 1.00 0.00 C ATOM 1905 CZ TYR A 124 7.307 1.919 4.164 1.00 0.00 C ATOM 1906 OH TYR A 124 7.481 0.765 4.887 1.00 0.00 O ATOM 0 H TYR A 124 9.191 5.455 1.663 1.00 0.00 H new ATOM 0 HA TYR A 124 7.236 4.427 0.100 1.00 0.00 H new ATOM 0 HB2 TYR A 124 7.153 6.357 2.443 1.00 0.00 H new ATOM 0 HB3 TYR A 124 5.682 5.692 1.761 1.00 0.00 H new ATOM 0 HD1 TYR A 124 6.387 2.944 1.105 1.00 0.00 H new ATOM 0 HD2 TYR A 124 7.550 5.258 4.483 1.00 0.00 H new ATOM 0 HE1 TYR A 124 6.705 0.887 2.398 1.00 0.00 H new ATOM 0 HE2 TYR A 124 7.877 3.198 5.780 1.00 0.00 H new ATOM 0 HH TYR A 124 7.583 0.007 4.274 1.00 0.00 H new ATOM 1916 N PHE A 125 7.505 7.555 -0.625 1.00 0.00 N ATOM 1917 CA PHE A 125 7.023 8.574 -1.547 1.00 0.00 C ATOM 1918 C PHE A 125 7.375 8.198 -2.984 1.00 0.00 C ATOM 1919 O PHE A 125 8.548 8.148 -3.353 1.00 0.00 O ATOM 1920 CB PHE A 125 7.617 9.941 -1.200 1.00 0.00 C ATOM 1921 CG PHE A 125 7.304 11.008 -2.211 1.00 0.00 C ATOM 1922 CD1 PHE A 125 6.012 11.489 -2.354 1.00 0.00 C ATOM 1923 CD2 PHE A 125 8.302 11.526 -3.021 1.00 0.00 C ATOM 1924 CE1 PHE A 125 5.722 12.467 -3.286 1.00 0.00 C ATOM 1925 CE2 PHE A 125 8.017 12.503 -3.955 1.00 0.00 C ATOM 1926 CZ PHE A 125 6.727 12.975 -4.087 1.00 0.00 C ATOM 0 H PHE A 125 8.381 7.785 -0.155 1.00 0.00 H new ATOM 0 HA PHE A 125 5.939 8.634 -1.454 1.00 0.00 H new ATOM 0 HB2 PHE A 125 7.241 10.254 -0.226 1.00 0.00 H new ATOM 0 HB3 PHE A 125 8.699 9.845 -1.109 1.00 0.00 H new ATOM 0 HD1 PHE A 125 5.223 11.095 -1.730 1.00 0.00 H new ATOM 0 HD2 PHE A 125 9.314 11.162 -2.921 1.00 0.00 H new ATOM 0 HE1 PHE A 125 4.711 12.834 -3.388 1.00 0.00 H new ATOM 0 HE2 PHE A 125 8.803 12.897 -4.582 1.00 0.00 H new ATOM 0 HZ PHE A 125 6.503 13.740 -4.815 1.00 0.00 H new ATOM 1936 N TYR A 126 6.352 7.932 -3.789 1.00 0.00 N ATOM 1937 CA TYR A 126 6.552 7.555 -5.184 1.00 0.00 C ATOM 1938 C TYR A 126 6.195 8.712 -6.112 1.00 0.00 C ATOM 1939 O TYR A 126 5.676 9.738 -5.670 1.00 0.00 O ATOM 1940 CB TYR A 126 5.699 6.332 -5.536 1.00 0.00 C ATOM 1941 CG TYR A 126 6.214 5.029 -4.960 1.00 0.00 C ATOM 1942 CD1 TYR A 126 6.650 4.944 -3.644 1.00 0.00 C ATOM 1943 CD2 TYR A 126 6.249 3.876 -5.736 1.00 0.00 C ATOM 1944 CE1 TYR A 126 7.105 3.749 -3.119 1.00 0.00 C ATOM 1945 CE2 TYR A 126 6.705 2.679 -5.217 1.00 0.00 C ATOM 1946 CZ TYR A 126 7.131 2.621 -3.908 1.00 0.00 C ATOM 1947 OH TYR A 126 7.582 1.430 -3.387 1.00 0.00 O ATOM 0 H TYR A 126 5.375 7.970 -3.499 1.00 0.00 H new ATOM 0 HA TYR A 126 7.605 7.307 -5.318 1.00 0.00 H new ATOM 0 HB2 TYR A 126 4.682 6.497 -5.179 1.00 0.00 H new ATOM 0 HB3 TYR A 126 5.645 6.241 -6.621 1.00 0.00 H new ATOM 0 HD1 TYR A 126 6.633 5.826 -3.021 1.00 0.00 H new ATOM 0 HD2 TYR A 126 5.914 3.916 -6.762 1.00 0.00 H new ATOM 0 HE1 TYR A 126 7.439 3.700 -2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 126 6.727 1.793 -5.835 1.00 0.00 H new ATOM 0 HH TYR A 126 7.534 0.733 -4.075 1.00 0.00 H new ATOM 1957 N VAL A 127 6.475 8.539 -7.399 1.00 0.00 N ATOM 1958 CA VAL A 127 6.180 9.569 -8.391 1.00 0.00 C ATOM 1959 C VAL A 127 6.155 8.990 -9.803 1.00 0.00 C ATOM 1960 O VAL A 127 6.713 9.577 -10.732 1.00 0.00 O ATOM 1961 CB VAL A 127 7.205 10.719 -8.335 1.00 0.00 C ATOM 1962 CG1 VAL A 127 6.884 11.667 -7.189 1.00 0.00 C ATOM 1963 CG2 VAL A 127 8.619 10.172 -8.204 1.00 0.00 C ATOM 0 H VAL A 127 6.905 7.697 -7.781 1.00 0.00 H new ATOM 0 HA VAL A 127 5.193 9.962 -8.148 1.00 0.00 H new ATOM 0 HB VAL A 127 7.143 11.279 -9.268 1.00 0.00 H new ATOM 0 HG11 VAL A 127 7.619 12.472 -7.166 1.00 0.00 H new ATOM 0 HG12 VAL A 127 5.889 12.088 -7.333 1.00 0.00 H new ATOM 0 HG13 VAL A 127 6.914 11.121 -6.246 1.00 0.00 H new ATOM 0 HG21 VAL A 127 9.327 11.000 -8.166 1.00 0.00 H new ATOM 0 HG22 VAL A 127 8.698 9.584 -7.289 1.00 0.00 H new ATOM 0 HG23 VAL A 127 8.845 9.540 -9.062 1.00 0.00 H new ATOM 1973 N SER A 128 5.498 7.837 -9.956 1.00 0.00 N ATOM 1974 CA SER A 128 5.381 7.159 -11.252 1.00 0.00 C ATOM 1975 C SER A 128 5.147 5.660 -11.066 1.00 0.00 C ATOM 1976 O SER A 128 5.875 4.995 -10.327 1.00 0.00 O ATOM 1977 CB SER A 128 6.636 7.371 -12.106 1.00 0.00 C ATOM 1978 OG SER A 128 7.808 7.316 -11.310 1.00 0.00 O ATOM 0 H SER A 128 5.034 7.349 -9.190 1.00 0.00 H new ATOM 0 HA SER A 128 4.525 7.596 -11.766 1.00 0.00 H new ATOM 0 HB2 SER A 128 6.684 6.609 -12.883 1.00 0.00 H new ATOM 0 HB3 SER A 128 6.579 8.336 -12.609 1.00 0.00 H new ATOM 0 HG SER A 128 8.081 8.225 -11.067 1.00 0.00 H new ATOM 1984 N ALA A 129 4.129 5.134 -11.741 1.00 0.00 N ATOM 1985 CA ALA A 129 3.804 3.715 -11.653 1.00 0.00 C ATOM 1986 C ALA A 129 4.976 2.847 -12.100 1.00 0.00 C ATOM 1987 O ALA A 129 5.110 1.703 -11.670 1.00 0.00 O ATOM 1988 CB ALA A 129 2.568 3.397 -12.481 1.00 0.00 C ATOM 0 H ALA A 129 3.515 5.670 -12.355 1.00 0.00 H new ATOM 0 HA ALA A 129 3.596 3.488 -10.607 1.00 0.00 H new ATOM 0 HB1 ALA A 129 2.341 2.334 -12.403 1.00 0.00 H new ATOM 0 HB2 ALA A 129 1.723 3.976 -12.110 1.00 0.00 H new ATOM 0 HB3 ALA A 129 2.753 3.653 -13.524 1.00 0.00 H new ATOM 1994 N GLU A 130 5.830 3.392 -12.962 1.00 0.00 N ATOM 1995 CA GLU A 130 6.989 2.647 -13.449 1.00 0.00 C ATOM 1996 C GLU A 130 7.747 2.022 -12.282 1.00 0.00 C ATOM 1997 O GLU A 130 8.251 0.897 -12.370 1.00 0.00 O ATOM 1998 CB GLU A 130 7.917 3.563 -14.253 1.00 0.00 C ATOM 1999 CG GLU A 130 8.305 4.836 -13.518 1.00 0.00 C ATOM 2000 CD GLU A 130 9.786 4.896 -13.197 1.00 0.00 C ATOM 2001 OE1 GLU A 130 10.203 4.272 -12.198 1.00 0.00 O ATOM 2002 OE2 GLU A 130 10.529 5.569 -13.942 1.00 0.00 O ATOM 0 H GLU A 130 5.744 4.337 -13.335 1.00 0.00 H new ATOM 0 HA GLU A 130 6.636 1.850 -14.104 1.00 0.00 H new ATOM 0 HB2 GLU A 130 8.822 3.013 -14.511 1.00 0.00 H new ATOM 0 HB3 GLU A 130 7.428 3.829 -15.190 1.00 0.00 H new ATOM 0 HG2 GLU A 130 8.034 5.699 -14.126 1.00 0.00 H new ATOM 0 HG3 GLU A 130 7.733 4.905 -12.593 1.00 0.00 H new ATOM 2009 N GLN A 131 7.815 2.744 -11.175 1.00 0.00 N ATOM 2010 CA GLN A 131 8.501 2.229 -10.009 1.00 0.00 C ATOM 2011 C GLN A 131 7.550 1.446 -9.119 1.00 0.00 C ATOM 2012 O GLN A 131 7.959 0.495 -8.460 1.00 0.00 O ATOM 2013 CB GLN A 131 9.154 3.338 -9.208 1.00 0.00 C ATOM 2014 CG GLN A 131 8.192 4.429 -8.771 1.00 0.00 C ATOM 2015 CD GLN A 131 8.612 5.081 -7.470 1.00 0.00 C ATOM 2016 OE1 GLN A 131 8.797 4.405 -6.458 1.00 0.00 O ATOM 2017 NE2 GLN A 131 8.765 6.399 -7.491 1.00 0.00 N ATOM 0 H GLN A 131 7.410 3.673 -11.063 1.00 0.00 H new ATOM 0 HA GLN A 131 9.283 1.560 -10.370 1.00 0.00 H new ATOM 0 HB2 GLN A 131 9.624 2.906 -8.324 1.00 0.00 H new ATOM 0 HB3 GLN A 131 9.948 3.785 -9.806 1.00 0.00 H new ATOM 0 HG2 GLN A 131 8.129 5.188 -9.551 1.00 0.00 H new ATOM 0 HG3 GLN A 131 7.194 4.006 -8.657 1.00 0.00 H new ATOM 0 HE21 GLN A 131 8.600 6.918 -8.354 1.00 0.00 H new ATOM 0 HE22 GLN A 131 9.047 6.893 -6.645 1.00 0.00 H new ATOM 2026 N VAL A 132 6.275 1.824 -9.108 1.00 0.00 N ATOM 2027 CA VAL A 132 5.310 1.104 -8.302 1.00 0.00 C ATOM 2028 C VAL A 132 5.192 -0.319 -8.828 1.00 0.00 C ATOM 2029 O VAL A 132 4.836 -1.240 -8.095 1.00 0.00 O ATOM 2030 CB VAL A 132 3.912 1.776 -8.272 1.00 0.00 C ATOM 2031 CG1 VAL A 132 4.014 3.293 -8.202 1.00 0.00 C ATOM 2032 CG2 VAL A 132 3.054 1.343 -9.455 1.00 0.00 C ATOM 0 H VAL A 132 5.897 2.609 -9.638 1.00 0.00 H new ATOM 0 HA VAL A 132 5.674 1.110 -7.275 1.00 0.00 H new ATOM 0 HB VAL A 132 3.419 1.436 -7.361 1.00 0.00 H new ATOM 0 HG11 VAL A 132 3.013 3.724 -8.183 1.00 0.00 H new ATOM 0 HG12 VAL A 132 4.550 3.580 -7.298 1.00 0.00 H new ATOM 0 HG13 VAL A 132 4.552 3.662 -9.075 1.00 0.00 H new ATOM 0 HG21 VAL A 132 2.083 1.834 -9.399 1.00 0.00 H new ATOM 0 HG22 VAL A 132 3.549 1.622 -10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 132 2.916 0.262 -9.428 1.00 0.00 H new ATOM 2042 N VAL A 133 5.522 -0.491 -10.110 1.00 0.00 N ATOM 2043 CA VAL A 133 5.482 -1.798 -10.738 1.00 0.00 C ATOM 2044 C VAL A 133 6.742 -2.585 -10.412 1.00 0.00 C ATOM 2045 O VAL A 133 6.685 -3.801 -10.239 1.00 0.00 O ATOM 2046 CB VAL A 133 5.330 -1.709 -12.265 1.00 0.00 C ATOM 2047 CG1 VAL A 133 6.464 -0.903 -12.855 1.00 0.00 C ATOM 2048 CG2 VAL A 133 5.291 -3.101 -12.878 1.00 0.00 C ATOM 0 H VAL A 133 5.819 0.264 -10.728 1.00 0.00 H new ATOM 0 HA VAL A 133 4.606 -2.309 -10.338 1.00 0.00 H new ATOM 0 HB VAL A 133 4.390 -1.207 -12.493 1.00 0.00 H new ATOM 0 HG11 VAL A 133 6.346 -0.847 -13.937 1.00 0.00 H new ATOM 0 HG12 VAL A 133 6.452 0.103 -12.436 1.00 0.00 H new ATOM 0 HG13 VAL A 133 7.413 -1.383 -12.618 1.00 0.00 H new ATOM 0 HG21 VAL A 133 5.183 -3.019 -13.960 1.00 0.00 H new ATOM 0 HG22 VAL A 133 6.216 -3.627 -12.644 1.00 0.00 H new ATOM 0 HG23 VAL A 133 4.446 -3.655 -12.470 1.00 0.00 H new ATOM 2058 N GLN A 134 7.889 -1.901 -10.318 1.00 0.00 N ATOM 2059 CA GLN A 134 9.125 -2.600 -9.998 1.00 0.00 C ATOM 2060 C GLN A 134 9.107 -3.018 -8.531 1.00 0.00 C ATOM 2061 O GLN A 134 9.508 -4.129 -8.174 1.00 0.00 O ATOM 2062 CB GLN A 134 10.344 -1.722 -10.302 1.00 0.00 C ATOM 2063 CG GLN A 134 10.567 -0.606 -9.295 1.00 0.00 C ATOM 2064 CD GLN A 134 11.923 0.055 -9.447 1.00 0.00 C ATOM 2065 OE1 GLN A 134 12.763 -0.013 -8.550 1.00 0.00 O ATOM 2066 NE2 GLN A 134 12.143 0.700 -10.587 1.00 0.00 N ATOM 0 H GLN A 134 7.981 -0.894 -10.455 1.00 0.00 H new ATOM 0 HA GLN A 134 9.200 -3.492 -10.620 1.00 0.00 H new ATOM 0 HB2 GLN A 134 11.233 -2.351 -10.335 1.00 0.00 H new ATOM 0 HB3 GLN A 134 10.226 -1.285 -11.294 1.00 0.00 H new ATOM 0 HG2 GLN A 134 9.786 0.145 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 134 10.474 -1.008 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 134 11.418 0.731 -11.304 1.00 0.00 H new ATOM 0 HE22 GLN A 134 13.037 1.164 -10.746 1.00 0.00 H new ATOM 2075 N GLY A 135 8.614 -2.117 -7.692 1.00 0.00 N ATOM 2076 CA GLY A 135 8.521 -2.388 -6.278 1.00 0.00 C ATOM 2077 C GLY A 135 7.393 -3.344 -5.958 1.00 0.00 C ATOM 2078 O GLY A 135 7.419 -4.013 -4.925 1.00 0.00 O ATOM 0 H GLY A 135 8.275 -1.197 -7.972 1.00 0.00 H new ATOM 0 HA2 GLY A 135 9.463 -2.808 -5.927 1.00 0.00 H new ATOM 0 HA3 GLY A 135 8.368 -1.453 -5.739 1.00 0.00 H new ATOM 2082 N MET A 136 6.404 -3.427 -6.848 1.00 0.00 N ATOM 2083 CA MET A 136 5.284 -4.334 -6.626 1.00 0.00 C ATOM 2084 C MET A 136 5.568 -5.689 -7.263 1.00 0.00 C ATOM 2085 O MET A 136 5.113 -6.717 -6.775 1.00 0.00 O ATOM 2086 CB MET A 136 3.970 -3.749 -7.160 1.00 0.00 C ATOM 2087 CG MET A 136 3.823 -3.810 -8.673 1.00 0.00 C ATOM 2088 SD MET A 136 2.505 -4.920 -9.216 1.00 0.00 S ATOM 2089 CE MET A 136 2.888 -6.404 -8.291 1.00 0.00 C ATOM 0 H MET A 136 6.357 -2.888 -7.712 1.00 0.00 H new ATOM 0 HA MET A 136 5.169 -4.468 -5.550 1.00 0.00 H new ATOM 0 HB2 MET A 136 3.137 -4.284 -6.704 1.00 0.00 H new ATOM 0 HB3 MET A 136 3.893 -2.709 -6.841 1.00 0.00 H new ATOM 0 HG2 MET A 136 3.625 -2.808 -9.053 1.00 0.00 H new ATOM 0 HG3 MET A 136 4.767 -4.136 -9.110 1.00 0.00 H new ATOM 0 HE1 MET A 136 2.037 -7.084 -8.326 1.00 0.00 H new ATOM 0 HE2 MET A 136 3.760 -6.891 -8.728 1.00 0.00 H new ATOM 0 HE3 MET A 136 3.101 -6.142 -7.255 1.00 0.00 H new ATOM 2099 N LYS A 137 6.335 -5.678 -8.348 1.00 0.00 N ATOM 2100 CA LYS A 137 6.693 -6.905 -9.052 1.00 0.00 C ATOM 2101 C LYS A 137 7.789 -7.669 -8.306 1.00 0.00 C ATOM 2102 O LYS A 137 8.051 -8.835 -8.595 1.00 0.00 O ATOM 2103 CB LYS A 137 7.141 -6.593 -10.485 1.00 0.00 C ATOM 2104 CG LYS A 137 8.539 -6.005 -10.586 1.00 0.00 C ATOM 2105 CD LYS A 137 8.817 -5.460 -11.979 1.00 0.00 C ATOM 2106 CE LYS A 137 8.644 -6.530 -13.045 1.00 0.00 C ATOM 2107 NZ LYS A 137 9.735 -7.543 -13.000 1.00 0.00 N ATOM 0 H LYS A 137 6.722 -4.829 -8.761 1.00 0.00 H new ATOM 0 HA LYS A 137 5.807 -7.538 -9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 137 7.101 -7.509 -11.074 1.00 0.00 H new ATOM 0 HB3 LYS A 137 6.432 -5.896 -10.932 1.00 0.00 H new ATOM 0 HG2 LYS A 137 8.653 -5.207 -9.853 1.00 0.00 H new ATOM 0 HG3 LYS A 137 9.275 -6.770 -10.340 1.00 0.00 H new ATOM 0 HD2 LYS A 137 8.144 -4.628 -12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 137 9.832 -5.066 -12.020 1.00 0.00 H new ATOM 0 HE2 LYS A 137 7.683 -7.026 -12.909 1.00 0.00 H new ATOM 0 HE3 LYS A 137 8.624 -6.062 -14.029 1.00 0.00 H new ATOM 0 HZ1 LYS A 137 9.579 -8.254 -13.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 137 10.650 -7.075 -13.156 1.00 0.00 H new ATOM 0 HZ3 LYS A 137 9.738 -8.009 -12.070 1.00 0.00 H new ATOM 2121 N GLU A 138 8.428 -7.000 -7.349 1.00 0.00 N ATOM 2122 CA GLU A 138 9.499 -7.614 -6.569 1.00 0.00 C ATOM 2123 C GLU A 138 8.978 -8.163 -5.243 1.00 0.00 C ATOM 2124 O GLU A 138 9.153 -9.340 -4.934 1.00 0.00 O ATOM 2125 CB GLU A 138 10.613 -6.598 -6.306 1.00 0.00 C ATOM 2126 CG GLU A 138 12.002 -7.125 -6.625 1.00 0.00 C ATOM 2127 CD GLU A 138 13.002 -6.834 -5.523 1.00 0.00 C ATOM 2128 OE1 GLU A 138 12.692 -7.122 -4.348 1.00 0.00 O ATOM 2129 OE2 GLU A 138 14.097 -6.317 -5.834 1.00 0.00 O ATOM 0 H GLU A 138 8.223 -6.034 -7.095 1.00 0.00 H new ATOM 0 HA GLU A 138 9.897 -8.446 -7.150 1.00 0.00 H new ATOM 0 HB2 GLU A 138 10.427 -5.704 -6.901 1.00 0.00 H new ATOM 0 HB3 GLU A 138 10.579 -6.296 -5.259 1.00 0.00 H new ATOM 0 HG2 GLU A 138 11.950 -8.201 -6.788 1.00 0.00 H new ATOM 0 HG3 GLU A 138 12.352 -6.678 -7.556 1.00 0.00 H new ATOM 2136 N ALA A 139 8.353 -7.295 -4.462 1.00 0.00 N ATOM 2137 CA ALA A 139 7.816 -7.681 -3.160 1.00 0.00 C ATOM 2138 C ALA A 139 6.603 -8.601 -3.292 1.00 0.00 C ATOM 2139 O ALA A 139 6.182 -9.228 -2.320 1.00 0.00 O ATOM 2140 CB ALA A 139 7.450 -6.443 -2.356 1.00 0.00 C ATOM 0 H ALA A 139 8.203 -6.316 -4.705 1.00 0.00 H new ATOM 0 HA ALA A 139 8.594 -8.237 -2.636 1.00 0.00 H new ATOM 0 HB1 ALA A 139 7.051 -6.743 -1.387 1.00 0.00 H new ATOM 0 HB2 ALA A 139 8.339 -5.829 -2.208 1.00 0.00 H new ATOM 0 HB3 ALA A 139 6.698 -5.868 -2.896 1.00 0.00 H new ATOM 2146 N GLN A 140 6.034 -8.665 -4.489 1.00 0.00 N ATOM 2147 CA GLN A 140 4.859 -9.490 -4.734 1.00 0.00 C ATOM 2148 C GLN A 140 5.138 -10.980 -4.541 1.00 0.00 C ATOM 2149 O GLN A 140 4.226 -11.747 -4.239 1.00 0.00 O ATOM 2150 CB GLN A 140 4.331 -9.247 -6.144 1.00 0.00 C ATOM 2151 CG GLN A 140 5.398 -9.322 -7.222 1.00 0.00 C ATOM 2152 CD GLN A 140 5.926 -10.727 -7.431 1.00 0.00 C ATOM 2153 OE1 GLN A 140 7.136 -10.952 -7.427 1.00 0.00 O ATOM 2154 NE2 GLN A 140 5.021 -11.679 -7.621 1.00 0.00 N ATOM 0 H GLN A 140 6.368 -8.154 -5.306 1.00 0.00 H new ATOM 0 HA GLN A 140 4.109 -9.199 -3.999 1.00 0.00 H new ATOM 0 HB2 GLN A 140 3.555 -9.981 -6.363 1.00 0.00 H new ATOM 0 HB3 GLN A 140 3.860 -8.265 -6.181 1.00 0.00 H new ATOM 0 HG2 GLN A 140 4.986 -8.950 -8.160 1.00 0.00 H new ATOM 0 HG3 GLN A 140 6.225 -8.664 -6.954 1.00 0.00 H new ATOM 0 HE21 GLN A 140 4.028 -11.447 -7.616 1.00 0.00 H new ATOM 0 HE22 GLN A 140 5.319 -12.643 -7.772 1.00 0.00 H new ATOM 2163 N GLU A 141 6.386 -11.395 -4.732 1.00 0.00 N ATOM 2164 CA GLU A 141 6.743 -12.804 -4.586 1.00 0.00 C ATOM 2165 C GLU A 141 7.255 -13.119 -3.186 1.00 0.00 C ATOM 2166 O GLU A 141 6.977 -14.186 -2.639 1.00 0.00 O ATOM 2167 CB GLU A 141 7.782 -13.202 -5.620 1.00 0.00 C ATOM 2168 CG GLU A 141 9.072 -12.465 -5.428 1.00 0.00 C ATOM 2169 CD GLU A 141 10.127 -12.827 -6.456 1.00 0.00 C ATOM 2170 OE1 GLU A 141 10.164 -12.177 -7.522 1.00 0.00 O ATOM 2171 OE2 GLU A 141 10.916 -13.759 -6.195 1.00 0.00 O ATOM 0 H GLU A 141 7.162 -10.783 -4.986 1.00 0.00 H new ATOM 0 HA GLU A 141 5.835 -13.384 -4.748 1.00 0.00 H new ATOM 0 HB2 GLU A 141 7.964 -14.275 -5.557 1.00 0.00 H new ATOM 0 HB3 GLU A 141 7.395 -13.002 -6.619 1.00 0.00 H new ATOM 0 HG2 GLU A 141 8.881 -11.393 -5.475 1.00 0.00 H new ATOM 0 HG3 GLU A 141 9.458 -12.676 -4.431 1.00 0.00 H new ATOM 2178 N ARG A 142 8.013 -12.192 -2.612 1.00 0.00 N ATOM 2179 CA ARG A 142 8.569 -12.387 -1.278 1.00 0.00 C ATOM 2180 C ARG A 142 7.550 -12.040 -0.196 1.00 0.00 C ATOM 2181 O ARG A 142 7.283 -12.843 0.697 1.00 0.00 O ATOM 2182 CB ARG A 142 9.840 -11.548 -1.099 1.00 0.00 C ATOM 2183 CG ARG A 142 9.668 -10.083 -1.465 1.00 0.00 C ATOM 2184 CD ARG A 142 11.002 -9.356 -1.506 1.00 0.00 C ATOM 2185 NE ARG A 142 12.014 -10.107 -2.246 1.00 0.00 N ATOM 2186 CZ ARG A 142 13.324 -9.913 -2.117 1.00 0.00 C ATOM 2187 NH1 ARG A 142 13.788 -8.994 -1.279 1.00 0.00 N ATOM 2188 NH2 ARG A 142 14.174 -10.640 -2.828 1.00 0.00 N ATOM 0 H ARG A 142 8.256 -11.302 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 142 8.824 -13.442 -1.175 1.00 0.00 H new ATOM 0 HB2 ARG A 142 10.166 -11.617 -0.061 1.00 0.00 H new ATOM 0 HB3 ARG A 142 10.634 -11.975 -1.712 1.00 0.00 H new ATOM 0 HG2 ARG A 142 9.181 -10.005 -2.437 1.00 0.00 H new ATOM 0 HG3 ARG A 142 9.012 -9.601 -0.740 1.00 0.00 H new ATOM 0 HD2 ARG A 142 10.867 -8.378 -1.968 1.00 0.00 H new ATOM 0 HD3 ARG A 142 11.352 -9.183 -0.488 1.00 0.00 H new ATOM 0 HE ARG A 142 11.697 -10.822 -2.900 1.00 0.00 H new ATOM 0 HH11 ARG A 142 13.139 -8.431 -0.729 1.00 0.00 H new ATOM 0 HH12 ARG A 142 14.794 -8.851 -1.185 1.00 0.00 H new ATOM 0 HH21 ARG A 142 13.824 -11.348 -3.474 1.00 0.00 H new ATOM 0 HH22 ARG A 142 15.178 -10.492 -2.730 1.00 0.00 H new ATOM 2202 N LEU A 143 6.982 -10.842 -0.276 1.00 0.00 N ATOM 2203 CA LEU A 143 5.996 -10.395 0.700 1.00 0.00 C ATOM 2204 C LEU A 143 4.814 -11.360 0.783 1.00 0.00 C ATOM 2205 O LEU A 143 4.104 -11.399 1.788 1.00 0.00 O ATOM 2206 CB LEU A 143 5.510 -8.993 0.341 1.00 0.00 C ATOM 2207 CG LEU A 143 5.204 -8.092 1.536 1.00 0.00 C ATOM 2208 CD1 LEU A 143 6.407 -8.002 2.461 1.00 0.00 C ATOM 2209 CD2 LEU A 143 4.788 -6.708 1.063 1.00 0.00 C ATOM 0 H LEU A 143 7.188 -10.162 -1.008 1.00 0.00 H new ATOM 0 HA LEU A 143 6.474 -10.372 1.679 1.00 0.00 H new ATOM 0 HB2 LEU A 143 6.267 -8.509 -0.276 1.00 0.00 H new ATOM 0 HB3 LEU A 143 4.611 -9.081 -0.269 1.00 0.00 H new ATOM 0 HG LEU A 143 4.377 -8.529 2.095 1.00 0.00 H new ATOM 0 HD11 LEU A 143 6.169 -7.356 3.306 1.00 0.00 H new ATOM 0 HD12 LEU A 143 6.661 -8.997 2.826 1.00 0.00 H new ATOM 0 HD13 LEU A 143 7.255 -7.588 1.916 1.00 0.00 H new ATOM 0 HD21 LEU A 143 4.573 -6.078 1.926 1.00 0.00 H new ATOM 0 HD22 LEU A 143 5.596 -6.264 0.482 1.00 0.00 H new ATOM 0 HD23 LEU A 143 3.896 -6.789 0.442 1.00 0.00 H new ATOM 2221 N THR A 144 4.605 -12.139 -0.275 1.00 0.00 N ATOM 2222 CA THR A 144 3.513 -13.099 -0.316 1.00 0.00 C ATOM 2223 C THR A 144 3.922 -14.425 0.321 1.00 0.00 C ATOM 2224 O THR A 144 4.928 -15.023 -0.059 1.00 0.00 O ATOM 2225 CB THR A 144 3.080 -13.336 -1.757 1.00 0.00 C ATOM 2226 OG1 THR A 144 4.204 -13.561 -2.589 1.00 0.00 O ATOM 2227 CG2 THR A 144 2.290 -12.188 -2.346 1.00 0.00 C ATOM 0 H THR A 144 5.181 -12.122 -1.116 1.00 0.00 H new ATOM 0 HA THR A 144 2.680 -12.686 0.252 1.00 0.00 H new ATOM 0 HB THR A 144 2.435 -14.214 -1.721 1.00 0.00 H new ATOM 0 HG1 THR A 144 4.088 -13.077 -3.433 1.00 0.00 H new ATOM 0 HG21 THR A 144 2.015 -12.425 -3.374 1.00 0.00 H new ATOM 0 HG22 THR A 144 1.387 -12.027 -1.756 1.00 0.00 H new ATOM 0 HG23 THR A 144 2.898 -11.283 -2.333 1.00 0.00 H new